SCHEMBL18448243

SCHEMBL18448243

Nc1ccc(-c2nccnc2OCC2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.44
▸ CDK2 P24941 11/20 0.43
▸ CCNA2 P20248 8/20 0.43
▸ CCNA1 P78396 7/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ CDK1 P06493 4/20 0.41
▸ CCNB1 P14635 3/20 0.41
▸ CCNB2 O95067 2/20 0.41
▸ CCNB3 Q8WWL7 2/20 0.41
▸ MAPK3 P27361 1/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ MAP3K5 Q99683 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATR Q13535 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ CNR1 P21554 1/20 0.39

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
SCHEMBL18447582 0.80 CNR2 (0.47) CDK2CCNA2CCNA1KMT2ACNR1
SCHEMBL18448135 0.73 HIF1A (0.46) NFE2L2CLK1ATRCNR1
SCHEMBL2657957 0.73 NFE2L2 (0.69) NFE2L2
SCHEMBL16446538 0.72 CDK2 (0.45) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL745672 0.71 NFE2L2 (0.66) NFE2L2
SCHEMBL24180092 0.71 CDK2 (0.48) CDK2CCNA2CCNA1CDK1CCNB1
Ethane SCHEMBL7214461 0.70 NFE2L2 (0.65) NFE2L2
SCHEMBL18447639 0.69 MAOB (0.53) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL24180222 0.68 CDK2 (0.45) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL18448780 0.68 PDE10A (0.35) EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988467-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2021-04-27 — — US disclosed
US-10988467-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2021-04-27 — — US disclosed
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
EP-3331863-B1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2020-03-11 — — EP disclosed
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-08-22 — — US disclosed
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-08-22 — — US disclosed
US-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 — — US disclosed
US-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 — — US disclosed
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-08-23 — — US disclosed
EP-3331863-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2018-06-13 — — EP disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 — — US disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 — — US disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 — — US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 — — US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 — — US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 — — US disclosed
WO-2017021879-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-02-09 — — WO disclosed
WO-2017021879-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-02-09 — — 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 (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-10988467-B2 Compounds as ROR gamma modulators RORB, RORA, RORC EP300 1123/4885CDK2 968/4885CCNA2 1968/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC EP300 1123/4885CDK2 968/4885CCNA2 1968/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC EP300 1139/4885CDK2 950/4885CCNA2 2013/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC EP300 1207/4885CDK2 1087/4885CCNA2 2574/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC EP300 1139/4885CDK2 950/4885CCNA2 2013/4885

“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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