SCHEMBL599677

SCHEMBL599677

Cc1cc(F)ccc1-c1nncc2cc(Nc3ccc(F)cc3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.54
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
SCN9A Q15858 3/20 0.41
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL599999 0.94 MAPK14 (0.49) MAPK14EGFRKDRSCN9APSEN1
SCHEMBL607542 0.92 MAPK14 (0.47) MAPK14EGFRKDRSCN9APSEN1
SCHEMBL599512 0.90 MAPK14 (0.48) MAPK14SCN9A
SCHEMBL599750 0.90 MAPK14 (0.46) MAPK14KDRSCN9APSEN1PSEN2
SCHEMBL600374 0.89 MAPK14 (0.47) MAPK14SCN9APSEN1PSEN2APH1B
SCHEMBL599346 0.87 MAPK14 (0.52) MAPK14SCN9A
SCHEMBL599489 0.87 MAPK14 (0.74) MAPK14SCN9A
SCHEMBL601105 0.85 MAPK14 (0.51) MAPK14SCN9APSEN1PSEN2APH1B
SCHEMBL601357 0.84 MAPK14 (0.46) MAPK14SCN9A
SCHEMBL599454 0.84 MAPK14 (0.46) MAPK14KDRSCN9APSEN1PSEN2

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.