SCHEMBL19507722

SCHEMBL19507722

c1ccc(-c2ccc(Nc3ncnc4[nH]nc(-c5ccccc5)c34)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.49
ABL1 P00519 4/20 0.49
PRKCA P17252 3/20 0.49
SRC P12931 1/20 0.49
ABL2 P42684 1/20 0.46
CDC7 O00311 2/20 0.45
GSK3B P49841 2/20 0.45
ROCK2 O75116 1/20 0.45
MAP4K4 O95819 1/20 0.45
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
CDK2 P24941 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
ALK Q9UM73 1/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL6235344 0.94 EGFR (0.55) EGFRABL1PRKCASRCABL2
SCHEMBL6682618 0.91 EGFR (0.49) EGFRABL1PRKCASRCCDC7
SCHEMBL6684888 0.88 EGFR (0.52) EGFRABL1PRKCASRCABL2
SCHEMBL19507769 0.88 EGFR (0.52) EGFRABL1PRKCASRCCDK1
SCHEMBL6686751 0.88 EGFR (0.52) EGFRABL1PRKCASRCABL2
SCHEMBL6238000 0.87 ABCG2 (0.51) EGFRABL1PRKCASRCABL2
SCHEMBL6689654 0.87 FGFR1 (0.57) EGFRABL1PRKCALMNAMAPT
SCHEMBL13861667 0.85 TTBK1 (0.52) EGFRABL1PRKCASRCABL2
SCHEMBL6684639 0.84 LMNA (0.57) EGFRABL1PRKCASRCABL2
SCHEMBL19507717 0.83 CDC7 (0.47) EGFRABL1SRCCDC7GSK3B

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-20190119284-A1 ErbB Inhibitors and Uses Thereof THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 US disclosed
WO-2017184775-A1 ERBB INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-26 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-20190119284-A1 ErbB Inhibitors and Uses Thereof ERBB3, ERBB2, EGFR EGFR 3/4885ABL1 6/4885PRKCA 761/4885

“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.