SCHEMBL22096431

SCHEMBL22096431

CC(C)c1ncc(NI)s1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CDK5 Q00535 1/20 0.30

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
SCHEMBL17206953 0.83 CSF1R (0.36) CSF1RALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21899251 0.75 L3MBTL1 (0.36) CSF1RALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21610561 0.74 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL21401470 0.74 CCNE1 (0.53) CSF1RALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14433723 0.73 — —
SCHEMBL19047000 0.73 — —
SCHEMBL765512 0.70 — —
SCHEMBL9906374 0.70 — —
SCHEMBL2305870 0.68 — —
SCHEMBL12354682 0.68 — —

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-10683304-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2020-06-16 — — 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-10683304-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 CSF1R 984/4885ALDH1A1 1219/4885SMN1; SMN2 4718/4885

“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.

Send feedback