SCHEMBL19783259

SCHEMBL19783259

CC(C)(C)[Si](C)(C)Oc1cccc2nc(Cl)sc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KCNH2 Q12809 1/20 0.36
PSMB8 P28062 1/20 0.33
NQO2 P16083 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ELANE P08246 1/20 0.31
CASR P41180 1/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA9 Q16790 2/20 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
SCHEMBL30189857 1.00 ALDH1A1 (0.39) ALDH1A1KCNH2PSMB8NQO2KMT2A
SCHEMBL2749006 0.80 ALDH1A1 (0.58) ALDH1A1NQO2KMT2AMEN1NPC1
SCHEMBL9306062 0.75 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL19226220 0.74 CA2 (0.38) ALDH1A1PSMB8KMT2AELANECASR
SCHEMBL27848467 0.73 KMT2A (0.40) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL30556213 0.70 CA1 (0.38) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL660041 0.70 PSMB8 (0.40) ALDH1A1PSMB8KMT2AELANE
SCHEMBL28692291 0.70 SMN1; SMN2 (0.37) ALDH1A1KCNH2KMT2AMEN1NPC1
SCHEMBL2748445 0.70 PSMB8 (0.40) ALDH1A1PSMB8NQO2KMT2AMEN1
SCHEMBL21409970 0.69 ALDH1A1 (0.32) ALDH1A1KCNH2KMT2AMEN1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ALDH1A1 1618/4885KCNH2 3616/4885PSMB8 2927/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885KCNH2 3719/4885PSMB8 3140/4885

“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.