SCHEMBL18448734

SCHEMBL18448734

Nc1ccc(-c2nccnc2NCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.48
▸ EGFR P00533 4/20 0.48
▸ BACE1 P56817 1/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ HPGD P15428 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ AURKA O14965 1/20 0.43
▸ APP P05067 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ FABP1 P07148 1/20 0.42
▸ FABP6 P51161 1/20 0.42
▸ UTS2R Q9UKP6 1/20 0.42
▸ GALR3 O60755 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTT P42858 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
SCHEMBL18448955 0.85 HIF1A (0.47) MAPK1EGFRHIF1AKMT2AAURKA
SCHEMBL28238899 0.84 FYN (0.51) MAPK1EGFRBACE1HIF1AHPGD
SCHEMBL22271053 0.82 HPGD (0.46) MAPK1HIF1AHPGDNPSR1ALDH1A1
SCHEMBL18449598 0.74 CYP3A4 (0.61) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL6285864 0.72 BACE1 (0.65) MAPK1EGFRBACE1NPSR1ALDH1A1
SCHEMBL31631318 0.72 BACE1 (0.65) MAPK1EGFRBACE1NPSR1ALDH1A1
SCHEMBL31327417 0.71 PTGS2 (0.48) HPGDNPSR1APPRAB9A
SCHEMBL18447771 0.71 EGFR (0.47) EGFRAURKA
SCHEMBL18447639 0.71 MAOB (0.53) MAPK1NPSR1ALDH1A1KMT2AMEN1
SCHEMBL18448954 0.71 LDHA (0.48) EGFRHPGDALDH1A1GALR3NR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026050-B Novel compounds as ROR gamma modulators 格兰马克药品股份有限公司 2021-04-30 — — CN disclosed
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
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
CN-108026050-A NOVEL COMPOUNDS AS ROR GAMMA MODULATORS 格兰马克药品股份有限公司 2018-05-11 — — CN 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 (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-10988467-B2 Compounds as ROR gamma modulators RORB, RORA, RORC MAPK1 2626/4885EGFR 2748/4885BACE1 810/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC MAPK1 2626/4885EGFR 2748/4885BACE1 810/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC MAPK1 2636/4885EGFR 2927/4885BACE1 953/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC MAPK1 2636/4885EGFR 2927/4885BACE1 953/4885

“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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