SCHEMBL29667010

SCHEMBL29667010

Fc1ccc(Nc2ncnc3ccc(-c4cnc5[nH]ccc5c4)cc23)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.61
ERBB2 P04626 4/20 0.61
ERBB4 Q15303 2/20 0.61
CD38 P28907 1/20 0.61
RAF1 P04049 2/20 0.58
BRAF P15056 2/20 0.58
PIK3CA P42336 2/20 0.56
PIK3CD O00329 1/20 0.56
PIK3CB P42338 1/20 0.56
PIK3CG P48736 1/20 0.56
GRM1 Q13255 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.52
AURKA O14965 1/20 0.51
INSR P06213 1/20 0.51
FBP1 P09467 1/20 0.51
PDGFRB P09619 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
CLK1 P49759 1/20 0.51
EPHB4 P54760 1/20 0.51

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
SCHEMBL17858789 1.00 EGFR (0.61) EGFRERBB2ERBB4CD38RAF1
SCHEMBL17858691 0.86 EGFR (0.61) EGFRERBB2CD38RAF1BRAF
SCHEMBL29793305 0.86 EGFR (0.61) EGFRERBB2CD38RAF1BRAF
SCHEMBL19729005 0.84 CD38 (0.61) EGFRERBB2ERBB4CD38PIK3CA
SCHEMBL29793388 0.84 IRAK4 (0.53) EGFRCD38RAF1BRAFPIK3CA
SCHEMBL17858798 0.84 IRAK4 (0.53) EGFRCD38RAF1BRAFPIK3CA
SCHEMBL17858730 0.82 EGFR (0.74) EGFRERBB2ERBB4CD38RAF1
SCHEMBL29793406 0.82 EGFR (0.74) EGFRERBB2ERBB4CD38RAF1
SCHEMBL15051470 0.81 RAF1 (0.66) EGFRERBB2ERBB4CD38RAF1
SCHEMBL17845917 0.81 EGFR (0.69) EGFRERBB2ERBB4CD38RAF1

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-11607414-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-03-21 US disclosed
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-30 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 (2 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-11607414-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885ERBB4 4/4885
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER CD274, PDCD1, PDCD1LG2 EGFR 378/4885ERBB2 1112/4885ERBB4 1918/4885

“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.