SCHEMBL10154019

SCHEMBL10154019

CNC(=O)CCc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 1/20 0.61
TBXAS1 P24557 9/20 0.56
NAMPT P43490 2/20 0.54
MAPT P10636 1/20 0.53
TNKS2 Q9H2K2 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL20382371 0.88 TBXAS1 (0.68) CYP3A4TBXAS1MAPT
SCHEMBL12561403 0.84 CYP3A4 (0.67) CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1
SCHEMBL26333386 0.83 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1
SCHEMBL9579600 0.83 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1
SCHEMBL7807329 0.83 CYP3A4 (0.71) CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1
SCHEMBL12251221 0.83 MKNK1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1
SCHEMBL2568441 0.83 CYP1A2 (0.70) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL12376674 0.83 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1
SCHEMBL21890782 0.83 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1
SCHEMBL9579396 0.83 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 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 (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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA CYP1A2 486/4885CYP3A4 2583/4885CYP2C9 2393/4885

“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.