SCHEMBL903579

SCHEMBL903579

COc1ccc(C(C)(C)C)cc1NC(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.62
HTT P42858 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 2/20 0.56
RECQL P46063 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
LMNA P02545 1/20 0.54
HSP90AA1 P07900 1/20 0.54
PKM P14618 1/20 0.54
NR1H4 Q96RI1 2/20 0.52
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52

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
SCHEMBL164777 0.86 MAPT (0.57) MAPK14HTTMEN1KMT2ACYP1A2
SCHEMBL16106825 0.86 HTT (0.61) MAPK14HTTMEN1KMT2ACYP1A2
SCHEMBL13947606 0.86 HTT (0.61) MAPK14HTTMEN1KMT2ACYP1A2
SCHEMBL3044565 0.84 HTT (0.53) MAPK14HTTMEN1KMT2ACYP1A2
SCHEMBL9504944 0.84 HTT (0.56) MAPK14HTTMEN1KMT2ACYP1A2
SCHEMBL6477861 0.84 KMT2A (0.50) MAPK14HTTMEN1KMT2ACYP1A2
SCHEMBL14288433 0.82 HTT (0.68) MAPK14HTTMEN1KMT2ACYP1A2
SCHEMBL23420775 0.81 HTT (0.54) MAPK14HTTMEN1KMT2ACYP1A2
SCHEMBL14288429 0.81 CYP1A2 (0.63) MAPK14HTTMEN1KMT2ACYP1A2
SCHEMBL26325651 0.81 MAPK14 (0.59) MAPK14HTTMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298311-B1 w-Carboxy aryl substituted diphenyl ureas as p38 kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-09 EP claimed
EP-1158985-B1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2011-12-28 EP claimed
EP-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 EP claimed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO claimed
CN-1341098-A Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2002-03-20 CN claimed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
WO-2012041987-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-05 WO disclosed
CN-1341098-A Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2002-03-20 CN 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 (8 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAPK14 2196/4885HTT 3495/4885MEN1 4633/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAPK14 2196/4885HTT 3495/4885MEN1 4633/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAPK14 2196/4885HTT 3495/4885MEN1 4633/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAPK14 2196/4885HTT 3495/4885MEN1 4633/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP MAPK14 1969/4885HTT 3543/4885MEN1 4655/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAPK14 2193/4885HTT 3338/4885MEN1 4651/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAPK14 2196/4885HTT 3495/4885MEN1 4633/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 MAPK14 2277/4885HTT 2896/4885MEN1 4648/4885

“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.