SCHEMBL3389616

SCHEMBL3389616

COc1ccc(C)nc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
TPMT P51580 1/20 0.44
GPR35 Q9HC97 1/20 0.44
ECE1 P42892 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 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
SCHEMBL20855788 0.85 KDM4E (0.44) KDM4EL3MBTL1CA9ALDH1A1TDP1
SCHEMBL11609659 0.83 S1PR4 (0.56) KDM4EL3MBTL1ALDH1A1LMNAHTT
SCHEMBL3780312 0.81 TDP1 (0.53) KDM4EL3MBTL1CA12CA1CA2
SCHEMBL2222736 0.81 KDM4E (0.49) KDM4EL3MBTL1CA12CA1CA2
SCHEMBL263251 0.80 HCRTR2 (0.50) KDM4EL3MBTL1ALDH1A1TDP1LMNA
SCHEMBL2475355 0.80 KMT2A (0.41) KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL14354395 0.79 KDM4E (0.47) KDM4EL3MBTL1CA12CA1CA2
SCHEMBL15270753 0.79 KDM4E (0.47) KDM4EL3MBTL1CA12CA1CA2
SCHEMBL262129 0.78 HCRTR1 (0.52) KDM4ECA9TDP1MAPTS1PR4
SCHEMBL15099897 0.77 KDM4E (0.37) KDM4EL3MBTL1ALDH1A1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
CN-114075190-A Heterocyclic BTK inhibitors 北京诺诚健华医药科技有限公司 2022-02-22 CN disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO 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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 KDM4E 4542/4885L3MBTL1 4265/4885CA12 4868/4885
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN KDM4E 1357/4885L3MBTL1 872/4885CA12 3193/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B KDM4E 1224/4885L3MBTL1 3947/4885CA12 4280/4885

“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.