SCHEMBL2138255

SCHEMBL2138255

COc1cccc2nc(NN)sc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
MAPT P10636 6/20 0.62
KDM4E B2RXH2 4/20 0.62
GAA P10253 2/20 0.62
IDO1 P14902 1/20 0.51
ALDH1A1 P00352 7/20 0.47
PKM P14618 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
MAPK1 P28482 3/20 0.47
NQO2 P16083 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
PAX8 Q06710 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.42
GFER P55789 2/20 0.42
ALOX12 P18054 1/20 0.42
DCPS Q96C86 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL2136849 0.79 IDO1 (0.55) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL84829 0.79 CYP3A4 (0.57) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL2141157 0.77 DCPS (0.49) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL2140697 0.77 MEN1 (0.44) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL2136353 0.77 MAPT (1.00) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL8040045 0.77 NQO2 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8052248 0.76 NQO2 (0.47) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL25321763 0.75 MAPT (0.66) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL2749006 0.75 ALDH1A1 (0.58) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2748734 0.75 NQO2 (0.46) MEN1KMT2AMAPTKDM4EALDH1A1

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 11 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-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 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 (5 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR MEN1 3325/4885KMT2A 575/4885MAPT 3403/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR MEN1 3325/4885KMT2A 575/4885MAPT 3403/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 MEN1 1767/4885KMT2A 2420/4885MAPT 1432/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 MEN1 1492/4885KMT2A 2390/4885MAPT 1155/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR MEN1 3325/4885KMT2A 575/4885MAPT 3403/4885

“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.