SCHEMBL11904474

SCHEMBL11904474

Fc1cccc2[nH]nc(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.40
▸ LCK P06239 3/20 0.40
▸ CSF1R P07333 3/20 0.40
▸ FGFR1 P11362 3/20 0.40
▸ ROCK1 Q13464 3/20 0.40
▸ MAPK8 P45983 3/20 0.40
▸ MAPK9 P45984 3/20 0.40
▸ PRKACA P17612 2/20 0.40
▸ PLK4 O00444 2/20 0.40
▸ AURKA O14965 2/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ LYN P07948 2/20 0.40
▸ RPS6KB1 P23443 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ MARK3 P27448 2/20 0.40
▸ BLK P51451 2/20 0.40
▸ CSNK2A1 P68400 2/20 0.40
▸ MARK2 Q7KZI7 2/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ SGK2 Q9HBY8 2/20 0.40

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
SCHEMBL28919844 0.79 PDPK1 (0.46) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL1394649 0.76 PDPK1 (0.61) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL22044450 0.76 GAA (0.61) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL30548041 0.76 MAPK1 (0.51) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL1573886 0.76 GAA (0.43) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL3443437 0.76 CYP1A2 (0.43) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL185907 0.76 GAA (0.61) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL32683983 0.76 CYP1A2 (0.43) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL5952759 0.76 PDPK1 (0.47) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL30248298 0.76 GAA (0.61) KDRLCKCSF1RFGFR1ROCK1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2884976-B1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-07-24 — — EP disclosed
EP-2920149-B1 3-AMINOCYCLOALKYL COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-03-20 — — EP disclosed
EP-2920149-B1 3-AMINOCYCLOALKYL COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-03-20 — — EP disclosed
US-10196354-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-02-05 — — US disclosed
EP-2884981-B1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2018-06-20 — — EP disclosed
EP-2884981-B1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2018-06-20 — — EP disclosed
US-9884043-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 — — US disclosed
US-20180022701-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-25 — — US disclosed
US-20180022701-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-25 — — US disclosed
US-20170340610-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2017-11-30 — — US disclosed
EP-2884981-A2 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 — — EP disclosed
WO-2014028597-A2 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 — — WO disclosed
WO-2014028589-A2 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 — — WO disclosed
WO-2014026328-A1 3-CYCLOHEXENYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 — — WO disclosed
WO-2014026330-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 — — WO disclosed
WO-2014028600-A2 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 — — WO disclosed
WO-2014026330-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 — — WO disclosed
WO-2014028600-A2 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 — — WO disclosed
US-20140038942-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-02-06 — — US disclosed
EP-2487159-A1 RorgammaT inhibitors MSD Oss B.V. (NL) 2012-08-15 — — 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 (4 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-20170340610-A1 RORgammaT INHIBITORS RORB, RORC, RORA KDR 2861/4885LCK 440/4885CSF1R 181/4885
US-10196354-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof RORB, RORA, RORC KDR 2635/4885LCK 2559/4885CSF1R 960/4885
US-20180022701-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC KDR 2635/4885LCK 2559/4885CSF1R 960/4885
US-20140038942-A1 RORgammaT INHIBITORS RORB, RORC, RORA KDR 2861/4885LCK 440/4885CSF1R 181/4885

“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.

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