SCHEMBL10423641

SCHEMBL10423641

ClCc1cc2cccnc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.63
AKR1B1 P15121 1/20 0.41
MET P08581 1/20 0.38
PDK1 Q15118 1/20 0.37
POLB P06746 2/20 0.36
NR4A2 P43354 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CCR1 P32246 2/20 0.34
CCR8 P51685 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7021081 0.81 CYP2A6 (0.68) CYP2A6AKR1B1METPOLBSMN1; SMN2
SCHEMBL2175943 0.81 CYP2A6 (0.63) CYP2A6AKR1B1METPDK1POLB
SCHEMBL2174717 0.81 CYP2A6 (0.63) CYP2A6AKR1B1METPDK1POLB
SCHEMBL1769791 0.77 CYP2A6 (1.00) CYP2A6AKR1B1METPDK1POLB
SCHEMBL21655326 0.77 CYP2A6 (0.62) CYP2A6AKR1B1METPDK1POLB
Methylethylamine SCHEMBL25352737 0.75 CYP2A6 (0.72) CYP2A6AKR1B1METPOLBKDM4E
SCHEMBL10469274 0.75 CYP2A6 (0.59) CYP2A6AKR1B1METPOLBMAPT
SCHEMBL2919083 0.75 CYP2A6 (0.55) CYP2A6PDK1POLBNR4A2KDM4E
SCHEMBL13909528 0.72 CYP2A6 (0.56) CYP2A6AKR1B1PDK1POLBNR4A2
SCHEMBL1107219 0.71 CYP2A6 (0.55) CYP2A6PDK1POLBKDM4ECCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2021-05-27 US disclosed
US-10946014-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2021-03-16 US disclosed
US-20200179377-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2020-06-11 US disclosed
US-9956218-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2018-05-01 US disclosed
US-9956218-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2018-05-01 US disclosed
US-20170027934-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2017-02-02 US disclosed
US-20170027934-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2017-02-02 US disclosed
EP-2966075-A1 CERTAIN TRIAZOLOPYRIDINES, COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CANCER. Hutchison Medipharma Limited (CN) 2016-01-13 EP disclosed
US-20150368271-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2015-12-24 US disclosed
US-20150368271-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2015-12-24 US disclosed
US-8987269-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2015-03-24 US disclosed
US-8987269-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2015-03-24 US disclosed
US-8507487-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2013-08-13 US disclosed
US-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-10-18 US disclosed
US-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-10-18 US disclosed
US-20120245178-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-09-27 US disclosed
US-20120245178-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-09-27 US disclosed
WO-2011079804-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2011-07-07 WO disclosed
US-4939140-A ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1990-07-03 US disclosed
EP-0322153-A2 Heterocyclic oxophtalazinyl acetic acids PFIZER INC. (US) 1989-06-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120245178-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 CYP2A6 978/4885AKR1B1 1719/4885MET 4578/4885
US-10946014-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor KCNJ11, NISCH, CYP4Z1 CYP2A6 978/4885AKR1B1 1719/4885MET 4578/4885
US-20150368271-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 CYP2A6 978/4885AKR1B1 1719/4885MET 4578/4885
US-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 CYP2A6 978/4885AKR1B1 1719/4885MET 4578/4885
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 CYP2A6 978/4885AKR1B1 1719/4885MET 4578/4885
US-20200179377-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 CYP2A6 978/4885AKR1B1 1719/4885MET 4578/4885
US-20170027934-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 CYP2A6 978/4885AKR1B1 1719/4885MET 4578/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.