SCHEMBL4163641

SCHEMBL4163641

Cc1nc2c(N)cc(C(N)=O)cn2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.49
CYP2C9 P11712 5/20 0.49
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
RCE1 Q9Y256 1/20 0.35
LMNA P02545 1/20 0.34
CDK1 P06493 1/20 0.34
WEE1 P30291 1/20 0.34
MYT1 Q01538 1/20 0.34
CREBBP Q92793 1/20 0.34
PKMYT1 Q99640 1/20 0.34
MAPT P10636 2/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Bromide SCHEMBL7554050 0.98 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6219463 0.93 CYP3A4 (0.47) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL5254676 0.88 CYP3A4 (0.39) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4165967 0.84 KDM4E (0.42) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
Bromide SCHEMBL4880840 0.82 CYP3A4 (0.41) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4169299 0.81 SMN1; SMN2 (0.44) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4170737 0.80 CA12 (0.39) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6214346 0.79 SMN1; SMN2 (0.51) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL27660825 0.74 CYP3A4 (0.64) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7498143 0.73 CYP3A4 (0.34) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound ELMAN BJORN 2009-10-01 US disclosed
US-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound ELMAN BJORN 2009-10-01 US disclosed
US-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound ELMAN BJORN 2009-10-01 US disclosed
US-20060063797-A1 Process for preparing a substituted imidazopyridine compound ELMAN BJORN 2006-03-23 US disclosed
EP-1073657-B1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2005-12-07 EP disclosed
US-6900324-B2 Process for preparing a substituted imidazopyridine compound ASTRAZENECA AB (SE) 2005-05-31 US disclosed
EP-1317455-B9 PROCESS FOR PREPARING A SUBSTITUTED IMIDAZOPYRIDINE COMPOUND ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
EP-1317455-B1 PROCESS FOR PREPARING A SUBSTITUTED IMIDAZOPYRIDINE COMPOUND ASTRAZENECA AB (SE) 2004-08-04 EP disclosed
US-20040039013-A1 Process for preparing a substituted imidazopyridine compound ASTRAZENECA AB (SE) 2004-02-26 US disclosed
EP-1317455-A1 PROCESS FOR PREPARING A SUBSTITUTED IMIDAZOPYRIDINE COMPOUND AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020523-A1 PROCESS FOR PREPARING A SUBSTITUTED IMIDAZOPYRIDINE COMPOUND ASTRAZENECA AB (SE) 2002-03-14 WO disclosed
US-6313137-B1 FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2001-11-06 US disclosed
EP-1073657-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION AstraZeneca AB (SE) 2001-02-07 EP disclosed
WO-1999055706-A9 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRA AB (SE) 2000-03-16 WO disclosed
WO-1999055706-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 1999-11-04 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 (3 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-20060063797-A1 Process for preparing a substituted imidazopyridine compound NISCH, CYP1B1, CYP1A2 CYP3A4 8/4885CYP2C9 121/4885CYP2D6 24/4885
US-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound NISCH, CYP1A2, CYP1B1 CYP3A4 13/4885CYP2C9 133/4885CYP2D6 23/4885
US-20040039013-A1 Process for preparing a substituted imidazopyridine compound CYP1B1, BRD1, SKP1 CYP3A4 24/4885CYP2C9 261/4885CYP2D6 17/4885

“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.