SCHEMBL17229376

SCHEMBL17229376

NCc1cn2ccc(Cl)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.44
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KLKB1 P03952 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
Hydrochloric Acid SCHEMBL22613762 0.98 AKR1B1 (0.44) AKR1B1KDM4EALDH1A1POLBTDP1
SCHEMBL18209416 0.87 AKR1B1 (0.43) AKR1B1KDM4EALDH1A1POLBTDP1
SCHEMBL10587746 0.84 AKR1B1 (0.45) AKR1B1KDM4EALDH1A1POLBTDP1
SCHEMBL15767323 0.83 AKR1B1 (0.44) AKR1B1KDM4EALDH1A1POLBTDP1
SCHEMBL17221376 0.83 AKR1B1 (0.44) AKR1B1KDM4EALDH1A1POLBTDP1
SCHEMBL22529079 0.79 METTL3 (0.43) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL22529080 0.79 KDM4E (0.63) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL15240535 0.79 METTL3 (0.44) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL15767586 0.79 AKR1B1 (0.42) AKR1B1KDM4EALDH1A1POLBTDP1
Hydrochloric Acid SCHEMBL31312583 0.78 KDM4E (0.61) KDM4EALDH1A1POLBTDP1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019178129-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-09-19 WO disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US 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 (1 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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH AKR1B1 1074/4885KDM4E 4071/4885ALDH1A1 416/4885

“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.