SCHEMBL2749006

SCHEMBL2749006

COc1cccc2nc(Cl)sc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
NQO2 P16083 6/20 0.47
ELANE P08246 2/20 0.45
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
DCPS Q96C86 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AMY1A P0DUB6 1/20 0.41
KEAP1 Q14145 1/20 0.41

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
SCHEMBL9306062 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDNPC1LMNA
SCHEMBL19783259 0.80 ALDH1A1 (0.39) ALDH1A1NQO2ELANENPC1RAB9A
SCHEMBL27848467 0.80 KMT2A (0.40) ALDH1A1ELANEKDM4EHPGDNPC1
SCHEMBL30189857 0.80 ALDH1A1 (0.39) ALDH1A1NQO2ELANENPC1RAB9A
SCHEMBL8040045 0.79 NQO2 (0.47) ALDH1A1NQO2ELANEKDM4EHPGD
SCHEMBL2748734 0.78 NQO2 (0.46) ALDH1A1NQO2ELANEKDM4EHPGD
SCHEMBL84829 0.78 CYP3A4 (0.57) ALDH1A1NQO2ELANEKDM4EHPGD
SCHEMBL2676990 0.77 ALDH1A1 (0.57) ALDH1A1NQO2KDM4EHPGDPOLB
SCHEMBL31726491 0.77 ALDH1A1 (0.57) ALDH1A1NQO2NPC1POLBMEN1
SCHEMBL2748445 0.77 PSMB8 (0.40) ALDH1A1NQO2ELANENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
US-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 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 (3 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ALDH1A1 1618/4885NQO2 756/4885ELANE 305/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885NQO2 851/4885ELANE 248/4885
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 ALDH1A1 945/4885NQO2 2384/4885ELANE 4163/4885

“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.