SCHEMBL19782867

SCHEMBL19782867

CC(=O)c1cnc2c(B(O)O)cc(C)cc2n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GRM2 Q14416 1/20 0.31
PARP1 P09874 1/20 0.31
HTR1A P08908 1/20 0.30
DYRK1A Q13627 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL19782785 0.84 MAPK1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL19776221 0.82 CYP1A2 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL19783390 0.80 ALDH1A1 (0.34) ALDH1A1GRM2PARP1DYRK1ACCR1
SCHEMBL19776213 0.74 F2RL3 (0.42)
SCHEMBL19782484 0.74 NOS3 (0.35) CCR1CCR5CCR8
SCHEMBL19783226 0.71 F2RL3 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL19775916 0.70 F2RL3 (0.56)
SCHEMBL19782609 0.69 F2RL3 (0.32) CCR1CCR5CCR8
SCHEMBL9823023 0.68 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL28941145 0.65 XDH (0.43) SMN1; SMN2

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 1618/4885GRM2 3966/4885PARP1 42/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885GRM2 4377/4885PARP1 56/4885

“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.