SCHEMBL599476

SCHEMBL599476

Cc1ncccc1-c1nncc2cc(Nc3ccc(F)cc3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.56
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
SCN9A Q15858 5/20 0.42
TDO2 P48775 1/20 0.40
MAPK10 P53779 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIP4K2A P48426 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL600332 0.87 SCN9A (0.44) MAPK14EGFRKDRSCN9ACYP1A2
SCHEMBL599677 0.82 MAPK14 (0.54) MAPK14EGFRKDRSCN9ASMN1; SMN2
SCHEMBL600366 0.81 KDR (0.47) MAPK14EGFRKDRSCN9AALDH1A1
SCHEMBL601572 0.79 MAPK14 (0.45) MAPK14EGFRKDRSCN9AALDH1A1
SCHEMBL599999 0.79 MAPK14 (0.49) MAPK14EGFRKDRSCN9AMAPK10
SCHEMBL599489 0.77 MAPK14 (0.74) MAPK14SCN9A
SCHEMBL601151 0.77 MAPK14 (0.48) MAPK14SCN9AALDH1A1CYP1A2CYP3A4
SCHEMBL607542 0.77 MAPK14 (0.47) MAPK14EGFRKDRSCN9A
SCHEMBL601354 0.77 MAPK14 (0.47) MAPK14KDRSCN9AMAPK10ALDH1A1
SCHEMBL600394 0.76 MAPK14 (0.54) MAPK14EGFRKDRSCN9AMAPT

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 MAPK14 26/4885EGFR 3565/4885KDR 1944/4885

“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.