SCHEMBL29985985

SCHEMBL29985985

COCCOc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.66
CHRNA4 P43681 7/20 0.66
CHRNA1 P02708 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNB3 Q05901 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL10090161 1.00 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA1CHRNB1CHRNB4
SCHEMBL13188207 0.91 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA1CHRNB1CHRNB4
SCHEMBL31742565 0.84 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA1CHRNB1CHRNB4
SCHEMBL171896 0.82 CHRNB2 (0.68) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL392062 0.82 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL23745944 0.82 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA1CHRNB1CHRNB4
SCHEMBL30338591 0.82 CHRNB2 (0.68) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL28046302 0.81 CYP3A4 (0.74) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL422229 0.81 CYP2C9 (0.70) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
Ammonia Solution, Strong SCHEMBL7207615 0.81 CHRNB2 (0.66) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12403135-B2 4H-pyrrolo[3,2-c]pyridin-4-one derivatives BAYER AKTIENGESELLSCHAFT (DE) 2025-09-02 US disclosed
US-20220378762-A1 4H-PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-01 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 (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-20220378762-A1 4H-PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES EGFR, ERBB2, ERBB4 CHRNB2 4740/4885CHRNA4 4815/4885CHRNA1 4729/4885
US-12403135-B2 4H-pyrrolo[3,2-c]pyridin-4-one derivatives EGFR, ERBB2, ERBB4 CHRNB2 4740/4885CHRNA4 4815/4885CHRNA1 4729/4885

“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.