SCHEMBL18484486

SCHEMBL18484486

C[C@H](Nc1nccnc1-c1ccc(N)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 8/20 0.48
▸ LDHB P07195 8/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ATP1A1 P05023 3/20 0.45
▸ ATP1B1 P05026 3/20 0.45
▸ ATP1A3 P13637 3/20 0.45
▸ ATP1B2 P14415 3/20 0.45
▸ ATP1A2 P50993 3/20 0.45
▸ ATP1B3 P54709 3/20 0.45
▸ FXYD2 P54710 3/20 0.45
▸ ATP1A4 Q13733 3/20 0.45
▸ EGFR P00533 6/20 0.44
▸ GALR3 O60755 1/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ CSF1R P07333 1/20 0.42

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
SCHEMBL19205755 1.00 LDHA (0.48) LDHALDHBALDH1A1HPGDATP1A1
SCHEMBL18448954 1.00 LDHA (0.48) LDHALDHBALDH1A1HPGDATP1A1
SCHEMBL18484150 0.87 EGFR (0.45) LDHALDHBALDH1A1HPGDEGFR
SCHEMBL18484149 0.87 EGFR (0.45) LDHALDHBALDH1A1HPGDEGFR
SCHEMBL19205733 0.86 ATP1A1 (0.44) LDHALDHBALDH1A1HPGDATP1A1
SCHEMBL19205734 0.86 ATP1A1 (0.44) LDHALDHBALDH1A1HPGDATP1A1
SCHEMBL22270578 0.84 ALDH1A1 (0.47) LDHALDHBALDH1A1HPGDATP1A1
SCHEMBL19205626 0.84 ADORA3 (0.44) LDHALDHBEGFR
SCHEMBL18484160 0.84 ADORA3 (0.44) LDHALDHBEGFR
SCHEMBL18484164 0.81 PIK3CD (0.39) HPGD

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
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-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
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

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 LDHA 3557/4885LDHB 3030/4885ALDH1A1 1342/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC LDHA 3557/4885LDHB 3030/4885ALDH1A1 1342/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC LDHA 3741/4885LDHB 3082/4885ALDH1A1 1415/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC LDHA 3543/4885LDHB 3125/4885ALDH1A1 1376/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC LDHA 3741/4885LDHB 3082/4885ALDH1A1 1415/4885

“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.

Send feedback