SCHEMBL3789463

SCHEMBL3789463

Nc1nc(-c2cccnc2)c(-c2ccncc2F)cc1NC(=O)c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 2/20 0.48
TSHR P16473 1/20 0.48
ATR Q13535 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
ADORA2B P29275 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MCL1 Q07820 1/20 0.43
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
ABCB1 P08183 2/20 0.41
STING1 Q86WV6 1/20 0.41
GSK3A P49840 2/20 0.41

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
SCHEMBL3796978 0.85 ATR (0.44) ALDH1A1ATRCYP3A4CYP2C19ADORA2B
SCHEMBL3796945 0.85 ABCB1 (0.49) HDAC3HDAC1HDAC2ATRCYP3A4
SCHEMBL3793080 0.83 ABCB1 (0.47) HDAC1ATRCYP3A4CYP2C19ADORA2B
SCHEMBL3788891 0.83 ATR (0.44) HDAC1ATRCYP3A4CYP2C19ADORA2B
SCHEMBL3794201 0.82 PIKFYVE (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3791797 0.81 ADORA2B (0.64) HDAC3HDAC1HDAC2CYP3A4CYP2C19
SCHEMBL3788574 0.81 ABCB1 (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3792560 0.81 ATR (0.44) ATRCYP3A4CYP2C19ADORA2BPIM1
SCHEMBL13019668 0.81 CLK1 (0.55) ATRABCB1
SCHEMBL18039058 0.76 ADORA2B (0.48) ALDH1A1CYP3A4CYP2C19ADORA2BSMN1; SMN2

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 7 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 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 HDAC3 3425/4885HDAC1 2543/4885HDAC2 1140/4885

“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.