SCHEMBL3794201

SCHEMBL3794201

Cc1ccc(C(=O)Nc2cc(-c3ccncc3F)c(-c3cccnc3)nc2N)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 2/20 0.45
ABCB1 P08183 4/20 0.44
ABL1 P00519 5/20 0.44
HDAC3 O15379 2/20 0.44
PDGFRB P09619 2/20 0.44
KDR P35968 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
ATR Q13535 3/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA2B P29275 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL13019668 0.87 CLK1 (0.55) PIKFYVEABCB1ABL1ATR
SCHEMBL3793080 0.87 ABCB1 (0.47) ABCB1HDAC1ATRCYP3A4ADORA2B
SCHEMBL3796945 0.87 ABCB1 (0.49) ABCB1HDAC3HDAC1HDAC2ATR
SCHEMBL3788574 0.86 ABCB1 (0.61) ABCB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3789463 0.82 HDAC3 (0.50) ABCB1HDAC3HDAC1HDAC2HDAC8
SCHEMBL3796978 0.81 ATR (0.44) ABCB1ATRCYP3A4ADORA2BCYP2C19
SCHEMBL3792560 0.81 ATR (0.44) ABCB1ATRCYP3A4ADORA2BCYP2C19
SCHEMBL3791797 0.79 ADORA2B (0.64) ABL1HDAC3HDAC1HDAC2CYP3A4
SCHEMBL3788891 0.79 ATR (0.44) ABCB1HDAC1ATRCYP3A4ADORA2B
SCHEMBL3794572 0.74 TRPV1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2

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 PIKFYVE 3115/4885ABCB1 220/4885ABL1 1682/4885

“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.