SCHEMBL4527701

SCHEMBL4527701

Cc1nc2c(-c3cccnc3)[c]ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 10/20 0.39
CYP3A4 P08684 9/20 0.39
CYP2C9 P11712 6/20 0.39
CYP2B6 P20813 6/20 0.39
CYP2E1 P05181 5/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 6/20 0.37
CYP2D6 P10635 3/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
ALK Q9UM73 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL16720507 0.84 ALOX5 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL4527458 0.82 KDM4E (0.36) CYP3A4CYP2C9NPC1RAB9ACYP1A2
SCHEMBL16720191 0.77 KDM4E (0.38) GAAKDM4E
SCHEMBL16720555 0.77 LMNA (0.40) CYP3A4CYP2C9RAB9AGAACYP2C19
SCHEMBL28073818 0.75 CYP2A6 (0.46) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL16720689 0.71 DYRK1A (0.45) ALK
SCHEMBL2091081 0.70 NPC1 (0.42) NPC1RAB9AGAAALDH1A1KDM4E
SCHEMBL21295624 0.70 CYP2A6 (0.45) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL21296038 0.69 NPC1 (0.41) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL16720456 0.69 BRD4 (0.40)

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-20090298865-A1 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-12-03 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-20090298865-A1 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof PYCR1, ATP5PD, NQO2 CYP2A6 981/4885CYP3A4 745/4885CYP2C9 387/4885

“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.