SCHEMBL3796993

SCHEMBL3796993

Fc1cnccc1-c1cc2nc(-c3ccncc3Cl)[nH]c2nc1-c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
CYP11B1 P15538 1/20 0.40
ADORA2B P29275 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPY5R Q15761 5/20 0.37
PTGES O14684 1/20 0.37
CYP2C9 P11712 1/20 0.37
BRAF P15056 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
STAT1 P42224 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NQO2 P16083 2/20 0.37
ADORA2A P29274 2/20 0.37
CYP19A1 P11511 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
SCHEMBL3787488 0.91 CYP11B1 (0.38) CYP11B1ADORA2BCYP3A4CYP2C19NPY5R
SCHEMBL3786530 0.90 CYP11B1 (0.49) CYP11B1ADORA2BCYP3A4CYP2C19NPY5R
SCHEMBL3794517 0.88 NPY5R (0.47) CYP11B1ADORA2BCYP3A4CYP2C19NPY5R
SCHEMBL3791710 0.88 CYP11B1 (0.44) CYP11B1ADORA2BCYP3A4CYP2C19NPY5R
SCHEMBL3794532 0.87 CYP11B1 (0.44) CYP11B1ADORA2BCYP3A4CYP2C19NPY5R
SCHEMBL3790745 0.86 CYP11B1 (0.48) CYP11B1ADORA2BCYP3A4CYP2C19NPY5R
SCHEMBL3786314 0.85 CYP11B1 (0.41) CYP11B1ADORA2BCYP3A4CYP2C19NPY5R
SCHEMBL3792218 0.85 CYP11B1 (0.47) CYP11B1ADORA2BCYP3A4CYP2C19NPY5R
SCHEMBL3791679 0.84 METAP2 (0.42) CYP11B1ADORA2BCYP3A4CYP2C19NPY5R
SCHEMBL3786289 0.83 METAP2 (0.46) CYP11B1ADORA2BCYP3A4CYP2C19NPY5R

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 IDO1 989/4885CYP11B1 327/4885ADORA2B 1/4885

“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.