SCHEMBL5116010

SCHEMBL5116010

NC(=O)c1nc(Nc2cc(Cl)c(Cl)cc2F)c2c[c]ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.39
ERBB2 P04626 2/20 0.39
GRM2 Q14416 4/20 0.35
CSNK2A1 P68400 1/20 0.34
MAPK14 Q16539 1/20 0.33
KDR P35968 2/20 0.33
CD38 P28907 1/20 0.32
MAPT P10636 1/20 0.32
AURKA O14965 2/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
JAK2 O60674 1/20 0.32
AURKB Q96GD4 1/20 0.32
RPS6KB1 P23443 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
SCHEMBL2991831 0.84 DYRK1A (0.47) EGFRERBB2CSNK2A1KDRAURKA
SCHEMBL3265691 0.77 MAPT (0.44) CSNK2A1KDRMAPTAURKAJAK2
SCHEMBL4586991 0.76 EGFR (0.56) EGFRERBB2MAPK14KDR
SCHEMBL5108932 0.74 EGFR (0.35) EGFRERBB2KDR
SCHEMBL4967816 0.74 EGFR (0.35) EGFRERBB2KDR
SCHEMBL5123489 0.74 EGFR (0.38) EGFRERBB2KDR
SCHEMBL5116667 0.73 EGFR (0.37) EGFRERBB2KDR
SCHEMBL2992809 0.72 AURKA (0.46) EGFRERBB2CSNK2A1KDRAURKA
SCHEMBL8093507 0.71 PARP1 (0.37)
SCHEMBL8147977 0.70 SCN9A (0.50) EGFRERBB2CSNK2A1KDRMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461166-B2 Anilinoquinazolinyl amide derivatives; radiolabels as bioprobes for Positron Emission Tomography and Single Photon Emission Computed Tomography, and as radiopharmaceuticals for radiotherapy; improved solubility, bioavailability, biostability HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2013-06-11 US disclosed
US-20080056990-A1 Polyalkylene glycol derivatives of inhibitors of epidermal growth factor receptor tyrosine kinase T.K. SIGNAL LTD. (IL) 2008-03-06 US 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-20080056990-A1 Polyalkylene glycol derivatives of inhibitors of epidermal growth factor receptor tyrosine kinase EGFR, TK1, ERBB2 EGFR 1/4885ERBB2 3/4885GRM2 3446/4885

“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.