SCHEMBL4300275

SCHEMBL4300275

CCCc1ccc(N)cc1NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 4/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ RAD52 P43351 2/20 0.37
▸ GAA P10253 3/20 0.36
▸ GFER P55789 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PLEC Q15149 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 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
SCHEMBL4015448 0.84 HPGD (0.42) CYP1A2CYP2C19CYP2C9MAPTALDH1A1
SCHEMBL18708056 0.80 MAPKAPK2 (0.40) ALDH1A1GAASMN1; SMN2LMNAMAPK1
SCHEMBL9352526 0.78 ALDH1A1 (0.47) CYP2C19MAPTALDH1A1KDM4EHPGD
SCHEMBL24526450 0.78 GAA (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4373136 0.77 GAA (0.44) CYP2C19MAPTALDH1A1KDM4EKMT2A
SCHEMBL2022897 0.76 POLB (0.53) CYP1A2CYP2C19MAPTALDH1A1MEN1
SCHEMBL11289487 0.75 MAPT (0.51) CYP1A2CYP2C19CYP2C9MAPTALDH1A1
SCHEMBL13886946 0.75 PRKCI (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL15835001 0.75 PRKCI (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5050117 0.74 CFTR (0.52) ALDH1A1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 — — 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 CYP1A2 3136/4885CYP2C19 3923/4885CYP2C9 4311/4885

“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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