SCHEMBL19205734

SCHEMBL19205734

CC(Nc1nccnc1-c1ccc(N)cc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP1A1 P05023 1/20 0.44
▸ ATP1B1 P05026 1/20 0.44
▸ ATP1A3 P13637 1/20 0.44
▸ ATP1B2 P14415 1/20 0.44
▸ ATP1A2 P50993 1/20 0.44
▸ ATP1B3 P54709 1/20 0.44
▸ FXYD2 P54710 1/20 0.44
▸ ATP1A4 Q13733 1/20 0.44
▸ LDHA P00338 3/20 0.44
▸ LDHB P07195 2/20 0.44
▸ ATR Q13535 2/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ AKT1 P31749 2/20 0.37
▸ PRCP P42785 1/20 0.36
▸ BDKRB1 P46663 1/20 0.36

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
SCHEMBL19205733 1.00 ATP1A1 (0.44) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL18484150 0.88 EGFR (0.45) LDHALDHBBDKRB1KDM4EALDH1A1
SCHEMBL18484149 0.88 EGFR (0.45) LDHALDHBBDKRB1KDM4EALDH1A1
SCHEMBL19205755 0.86 LDHA (0.48) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL18484486 0.86 LDHA (0.48) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL18448954 0.86 LDHA (0.48) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL22270677 0.85 ATP1A1 (0.43) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL18484160 0.85 ADORA3 (0.44) LDHALDHBEGFRP2RX3CDK1
SCHEMBL19205626 0.85 ADORA3 (0.44) LDHALDHBEGFRP2RX3CDK1
SCHEMBL18484164 0.79 PIK3CD (0.39) PIK3CBPIK3CGKDM4EHPGDP2RX3

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
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
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-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
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

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 ATP1A1 2101/4885ATP1B1 2007/4885ATP1A3 2643/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC ATP1A1 2101/4885ATP1B1 2007/4885ATP1A3 2643/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ATP1A1 2242/4885ATP1B1 1996/4885ATP1A3 2705/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ATP1A1 1874/4885ATP1B1 1888/4885ATP1A3 2811/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ATP1A1 2242/4885ATP1B1 1996/4885ATP1A3 2705/4885

“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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