SCHEMBL600332

SCHEMBL600332

COc1ncccc1-c1nncc2cc(Nc3ccc(F)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.44
MAPK14 Q16539 2/20 0.43
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
PIK3R1 P27986 1/20 0.37

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
SCHEMBL599476 0.87 MAPK14 (0.56) SCN9AMAPK14EGFRKDRCYP1A2
SCHEMBL2949613 0.84 MAPK14 (0.46) SCN9AMAPK14NPC1RAB9ACYP1A2
SCHEMBL2944136 0.79 LOXL2 (0.48) SCN9AMAPK14KDR
SCHEMBL600366 0.78 KDR (0.47) SCN9AMAPK14EGFRKDRUSP2
SCHEMBL599677 0.76 MAPK14 (0.54) SCN9AMAPK14EGFRKDR
SCHEMBL601572 0.74 MAPK14 (0.45) SCN9AMAPK14EGFRKDRNPC1
SCHEMBL599999 0.73 MAPK14 (0.49) SCN9AMAPK14EGFRKDRCYP3A4
SCHEMBL601151 0.72 MAPK14 (0.48) SCN9AMAPK14NPC1RAB9ACYP1A2
SCHEMBL600022 0.71 GRM4 (0.43) MAPK14EGFRKDRPTK2
SCHEMBL607542 0.71 MAPK14 (0.47) SCN9AMAPK14EGFRKDRABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497269-B2 Phthalazine compounds as p38 map kinase modulators and methods of use thereof AMGEN INC. (US) 2013-07-30 US claimed
US-20120040983-A1 Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof AMGEN INC. (US) 2012-02-16 US claimed
WO-2010042649-A2 PHTHALAZINE COMPOUNDS AS p38 MAP KINASE MODULATORS AND METHODS OF USE THEREOF AMGEN INC. (US) 2010-04-15 WO claimed
US-8497269-B2 Phthalazine compounds as p38 map kinase modulators and methods of use thereof AMGEN INC. (US) 2013-07-30 US disclosed
US-20120040983-A1 Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof AMGEN INC. (US) 2012-02-16 US disclosed
WO-2010042649-A2 PHTHALAZINE COMPOUNDS AS p38 MAP KINASE MODULATORS AND METHODS OF USE THEREOF AMGEN INC. (US) 2010-04-15 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 (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-20120040983-A1 Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof MAPK1, MAPK4, MAPK12 SCN9A 4288/4885MAPK14 26/4885EGFR 3565/4885

“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.