SCHEMBL3796334

SCHEMBL3796334

Nc1nc2cc(-c3ccncc3F)c(-c3cccnc3)nc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.45
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
ADORA2B P29275 5/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CDC7 O00311 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CYP11B1 P15538 1/20 0.38
NPY5R Q15761 1/20 0.37
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
NQO2 P16083 3/20 0.37

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
SCHEMBL3786530 0.87 CYP11B1 (0.49) ADORA2BCYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL3791203 0.86 ADORA2B (0.39) NUDT1CDK5CDK5R1ADORA2BCYP3A4
SCHEMBL3789467 0.86 CYP3A4 (0.43) NUDT1ADORA2BCYP3A4CYP2C19CDC7
SCHEMBL3791710 0.85 CYP11B1 (0.44) ADORA2BCYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL3794517 0.85 NPY5R (0.47) ADORA2BCYP3A4CYP2C19CDC7KDM4E
SCHEMBL3794532 0.84 CYP11B1 (0.44) ADORA2BCYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL3790745 0.83 CYP11B1 (0.48) ADORA2BCYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL3795336 0.83 EGFR (0.40) ADORA2BCYP3A4CYP2C19CDC7KDM4E
SCHEMBL3788904 0.82 ADORA2B (0.45) ADORA2BCYP3A4CYP2C19CDC7CYP11B1
SCHEMBL3796993 0.82 IDO1 (0.40) ADORA2BCYP3A4CYP2C19KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US claimed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US claimed
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 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-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 NUDT1 109/4885CDK5 1285/4885CDK5R1 364/4885

“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.