SCHEMBL600022

SCHEMBL600022

Cn1nccc1-c1nncc2cc(Nc3ccc(F)cc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.43
MAPK14 Q16539 3/20 0.41
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
PTK2 Q05397 1/20 0.39
HTR2C P28335 8/20 0.38
BPTF Q12830 1/20 0.35
BCDIN3D Q7Z5W3 1/20 0.34

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
SCHEMBL599677 0.75 MAPK14 (0.54) MAPK14EGFRKDR
SCHEMBL599476 0.74 MAPK14 (0.56) MAPK14EGFRKDR
SCHEMBL599348 0.74 MAPK14 (0.57) MAPK14EGFRKDR
SCHEMBL599340 0.72 EGFR (0.49) MAPK14EGFRKDR
SCHEMBL600299 0.72 KDR (0.49) MAPK14EGFRKDR
SCHEMBL600366 0.71 KDR (0.47) MAPK14EGFRKDR
SCHEMBL600332 0.71 SCN9A (0.44) MAPK14EGFRKDRPTK2
SCHEMBL5946627 0.71 BUB1 (0.43) CCNE2CCNE1CDK2PTK2HTR2C
SCHEMBL599999 0.70 MAPK14 (0.49) MAPK14ABL1EGFRKDR
SCHEMBL599489 0.68 MAPK14 (0.74) MAPK14

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 GRM4 925/4885MAPK14 26/4885ABL1 1542/4885

“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.