SCHEMBL25616628

SCHEMBL25616628

C#Cc1cnc2cc(OC)c(F)cc2c1Nc1ccc(S(N)(=O)=NCC2CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.45
ERBB2 P04626 8/20 0.45
MAP2K1 Q02750 6/20 0.44
TP53 P04637 1/20 0.41
SRC P12931 2/20 0.41
GAK O14976 1/20 0.41
PDE4B Q07343 1/20 0.41
CSF1R P07333 1/20 0.40

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
SCHEMBL24028679 0.93 EGFR (0.55) EGFRERBB2MAP2K1SRC
SCHEMBL25616625 0.87 MAP2K1 (0.47) EGFRERBB2MAP2K1TP53SRC
SCHEMBL24028702 0.79 MAP2K1 (0.58) EGFRERBB2MAP2K1SRCPDE4B
SCHEMBL24028629 0.76 EGFR (0.55) EGFRERBB2MAP2K1SRC
SCHEMBL24028703 0.75 EGFR (0.54) EGFRERBB2TP53SRCGAK
SCHEMBL24028700 0.70 GAK (0.39) EGFRTP53SRCGAK
SCHEMBL24028678 0.69 EGFR (0.55) EGFRERBB2CSF1R
SCHEMBL24028680 0.69 GAK (0.50) EGFRGAK
SCHEMBL27437241 0.66 MAP2K1 (0.74) EGFRERBB2MAP2K1SRCGAK
SCHEMBL20782846 0.65 MAP2K1 (0.72) EGFRERBB2MAP2K1SRCGAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183188-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. 2023-06-15 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-20230183188-A1 ENPP1 MODULATORS AND USES THEREOF ENPP1, ENPP2, ENPP3 EGFR 4629/4885ERBB2 3535/4885MAP2K1 3751/4885

“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.