SCHEMBL3788574

SCHEMBL3788574

COc1ccc(C(=O)Nc2cc(-c3ccncc3F)c(-c3cccnc3)nc2N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.61
HDAC3 O15379 3/20 0.50
HDAC2 Q92769 3/20 0.50
NCOR1 O75376 1/20 0.50
RAB9A P51151 1/20 0.48
ROCK2 O75116 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ROCK1 Q13464 1/20 0.48
ATR Q13535 2/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ABCC1 P33527 1/20 0.46
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45

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
SCHEMBL3794201 0.86 PIKFYVE (0.45) ABCB1HDAC3HDAC2ROCK2CYP3A4
SCHEMBL3796945 0.86 ABCB1 (0.49) ABCB1HDAC3HDAC2CYP3A4ATR
SCHEMBL3793080 0.84 ABCB1 (0.47) ABCB1RAB9AROCK2CYP3A4ATR
SCHEMBL13019668 0.83 CLK1 (0.55) ABCB1ATR
SCHEMBL3789463 0.81 HDAC3 (0.50) ABCB1HDAC3HDAC2RAB9ACYP3A4
SCHEMBL3796978 0.80 ATR (0.44) ABCB1CYP3A4CYP2C9ATRMAPT
SCHEMBL3792560 0.80 ATR (0.44) ABCB1CYP3A4ATRBRAF
SCHEMBL3788891 0.80 ATR (0.44) ABCB1CYP3A4ATRHDAC1
SCHEMBL3791797 0.78 ADORA2B (0.64) HDAC3HDAC2CYP3A4CYP2C9HDAC1
SCHEMBL3794572 0.75 TRPV1 (0.39) HDAC3HDAC2ROCK2CYP3A4HDAC4

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 ABCB1 220/4885HDAC3 3425/4885HDAC2 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.