SCHEMBL10010256

SCHEMBL10010256

CC[C@H](O)Cc1cc(Nc2cccc(Cl)c2)nn1-c1ccnc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.41
▸ EGFR P00533 2/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CNR2 P34972 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ KDM4E B2RXH2 2/20 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
SCHEMBL10009040 0.87 P2RX7 (0.36) MAPK1
SCHEMBL10010506 0.87 THRB (0.47) LMNAMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL10009698 0.87 THRB (0.47) LMNAMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL27881221 0.87 THRB (0.47) LMNAMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL27982244 0.86 MAPK1 (0.35) MAPK1MAPTKDM4ETDO2
SCHEMBL10008635 0.86 MAPK1 (0.35) MAPK1MAPTKDM4ETDO2
SCHEMBL10009314 0.86 MAPK1 (0.35) MAPK1MAPTKDM4ETDO2
SCHEMBL10009201 0.85 P2RX7 (0.33) MAPK1EGFRCDK4CDK2TGFBR1
SCHEMBL10009879 0.85 MAPK1 (0.45) MAPK1CDK2CYP2D6CYP2C9KCNH2
SCHEMBL27981728 0.85 P2RX7 (0.33) MAPK1EGFRCDK4CDK2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791144-B2 Substituted N-phenyl-1-(4-Pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 — — US disclosed
EP-2491024-B1 SUBSTITUTED N-PHENYL-1-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINES JANSSEN PHARMACEUTICA NV (BE) 2013-11-20 — — EP disclosed
US-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines JANSSEN PHARMACEUTICA NV (BE) 2012-07-05 — — 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 (1 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-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines CHRM1, CHRNA1, CHRM3 MAPK1 1404/4885EGFR 966/4885CDK4 1884/4885

“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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