SCHEMBL23520558

SCHEMBL23520558

Cc1nc(N[C@H](C)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2cc(Br)cc(C)c2n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 20/20 0.49
KRAS P01116 8/20 0.44

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
SCHEMBL23521100 0.86 SOS1 (0.57) SOS1KRAS
SCHEMBL29002528 0.86 SOS1 (0.57) SOS1KRAS
SCHEMBL30148552 0.86 SOS1 (0.57) SOS1KRAS
SCHEMBL23412405 0.85 SOS1 (0.45) SOS1KRAS
SCHEMBL23412403 0.85 SOS1 (0.45) SOS1KRAS
SCHEMBL29723197 0.85 SOS1 (0.45) SOS1KRAS
SCHEMBL23520597 0.83 SOS1 (0.65) SOS1KRAS
SCHEMBL23520739 0.83 SOS1 (0.51) SOS1KRAS
SCHEMBL31115549 0.83 SOS1 (0.44) SOS1KRAS
SCHEMBL23520604 0.80 SOS1 (0.51) SOS1KRAS

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-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-17 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-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOS2, SOST SOS1 1/4885KRAS 20/4885

“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.