SCHEMBL29667019

SCHEMBL29667019

COc1ccc(Nc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5cccc(F)c5)c4)cc23)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.53
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
RAF1 P04049 4/20 0.52
BRAF P15056 4/20 0.52
GAK O14976 1/20 0.51
ERBB2 P04626 11/20 0.50
MEN1 O00255 2/20 0.49
CYP3A4 P08684 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL17845935 1.00 EGFR (0.53) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3108452 0.88 PIK3CA (0.55) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17845943 0.85 RAF1 (0.59) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29667036 0.85 RAF1 (0.59) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22585384 0.79 RAF1 (0.54) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17845962 0.78 RAF1 (0.59) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17845955 0.77 EGFR (0.76) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29667026 0.77 EGFR (0.76) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL27907895 0.77 RAF1 (0.60) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13248100 0.76 PIK3CA (0.57) EGFRPIK3CDPIK3CAPIK3CBPIK3CG

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 1/4885PIK3CD 8/4885PIK3CA 6/4885
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER CD274, PDCD1, PDCD1LG2 EGFR 378/4885PIK3CD 1259/4885PIK3CA 949/4885

“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.