SCHEMBL29318109

SCHEMBL29318109

BCc1cncc(CO)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
CYP11B2 P19099 5/20 0.38
CYP11B1 P15538 3/20 0.38
ACHE P22303 1/20 0.33
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
PRKCI P41743 1/20 0.31
DYRK1A Q13627 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
RECQL P46063 1/20 0.30
S1PR1 P21453 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
SCHEMBL2728918 0.87 CYP2A6 (0.47) CYP2A6CYP11B2CYP11B1ACHEAR
SCHEMBL844762 0.76
SCHEMBL5514245 0.76 CYP2A6 (0.41) CYP2A6CYP11B2CYP11B1ACHEAR
SCHEMBL6972180 0.76 CYP2A6 (0.41) CYP2A6CYP11B2CYP11B1ACHEAR
SCHEMBL13066732 0.76 SMYD3 (0.34) PRMT5WDR77
SCHEMBL8208707 0.76
SCHEMBL844561 0.76 CYP2A6 (0.44) CYP2A6CYP11B2CYP11B1ACHEAR
SCHEMBL29318041 0.76
Hydrochloric Acid SCHEMBL28673660 0.74 CYP11B1 (0.42) CYP2A6CYP11B2CYP11B1ACHE
Acetic Acid SCHEMBL6983638 0.74 CYP2A6 (0.43) CYP2A6CYP11B2CYP11B1ARKDM4E

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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-07-18 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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME ENPP2, SSB, PLPBP CYP2A6 1972/4885CYP11B2 978/4885CYP11B1 1441/4885

“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.