SCHEMBL600784

SCHEMBL600784

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
GRM4 Q14833 1/20 0.41
KCNH3 Q9ULD8 4/20 0.36
POLB P06746 1/20 0.35
HTR2C P28335 2/20 0.34
MAPK14 Q16539 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
BMI1 P35226 1/20 0.33
APP P05067 1/20 0.33
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.32
CFTR P13569 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
SCHEMBL602310 0.80 MAPK14 (0.46) EGFRKDRKCNH3POLBHTR2C
SCHEMBL397515 0.75 NPC1 (0.45) KDRSMN1; SMN2
SCHEMBL600299 0.74 KDR (0.49) EGFRKDRPOLBMAPK14SMN1; SMN2
SCHEMBL599340 0.74 EGFR (0.49) EGFRKDRPOLBMAPK14SMN1; SMN2
SCHEMBL599559 0.74 MAPK14 (0.47) EGFRKDRMAPK14
SCHEMBL601733 0.73 EGFR (0.43) EGFRKDRGRM4POLBHTR2C
SCHEMBL29875377 0.70 MAPK14 (0.43) EGFRKDRHTR2CMAPK14
SCHEMBL599677 0.70 MAPK14 (0.54) EGFRKDRMAPK14SMN1; SMN2
SCHEMBL600523 0.69 MAPK14 (0.43) EGFRKDRMAPK14APP
SCHEMBL600917 0.69 MAPK14 (0.43) EGFRKDRMAPK14APP

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.