SCHEMBL601733

SCHEMBL601733

C=C(c1nncc2cc(Nc3ccc(F)cc3)ccc12)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
KDR P35968 1/20 0.43
GRM4 Q14833 2/20 0.40
POLB P06746 1/20 0.36
HTR2C P28335 2/20 0.34
CTSC P53634 1/20 0.34
AURKA O14965 1/20 0.34
APP P05067 1/20 0.33
CDC7 O00311 1/20 0.33
ITK Q08881 1/20 0.33
MAPK14 Q16539 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PAX8 Q06710 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PTK2 Q05397 1/20 0.32
ACP1 P24666 1/20 0.32

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
SCHEMBL600299 0.78 KDR (0.49) EGFRKDRPOLBAURKACDC7
SCHEMBL599340 0.75 EGFR (0.49) EGFRKDRPOLBCTSCAURKA
SCHEMBL600784 0.73 EGFR (0.42) EGFRKDRGRM4POLBHTR2C
SCHEMBL602310 0.73 MAPK14 (0.46) EGFRKDRPOLBHTR2CCDC7
SCHEMBL29875036 0.69 C1S (0.35) EGFRKDRMAPK14
SCHEMBL599677 0.68 MAPK14 (0.54) EGFRKDRMAPK14SMN1; SMN2
SCHEMBL599348 0.68 MAPK14 (0.57) EGFRKDRMAPK14SMN1; SMN2TP53
SCHEMBL600366 0.68 KDR (0.47) EGFRKDRPOLBMAPK14TP53
SCHEMBL599476 0.66 MAPK14 (0.56) EGFRKDRMAPK14SMN1; SMN2MAPT
SCHEMBL600022 0.66 GRM4 (0.43) EGFRKDRGRM4HTR2CMAPK14

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 3 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 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 EGFR 3565/4885KDR 1944/4885GRM4 925/4885

“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.