SCHEMBL5161967

SCHEMBL5161967

Clc1nc(Cl)c2ncn(CCc3ccccc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.53
YTHDC1 Q96MU7 2/20 0.53
P2RX7 Q99572 2/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
HTT P42858 1/20 0.47
TMIGD3 P0DMS9 4/20 0.46
ADORA1 P30542 4/20 0.46
ADORA2B P29275 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
CDK1 P06493 1/20 0.46
CNR2 P34972 3/20 0.45
PNP P00491 1/20 0.44
CNR1 P21554 1/20 0.43

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
SCHEMBL30898278 0.87 YTHDC1 (0.68) ADORA2AYTHDC1P2RX7PDE4APDE4B
SCHEMBL183057 0.87 YTHDC1 (0.68) ADORA2AYTHDC1P2RX7PDE4APDE4B
SCHEMBL3441053 0.86 ADORA2A (0.65) ADORA2AYTHDC1PDE4APDE4BPDE4C
SCHEMBL3253993 0.86 HDAC6 (0.49) ADORA2AYTHDC1P2RX7PDE4APDE4B
SCHEMBL12537453 0.85 CNR2 (0.47) ADORA2AYTHDC1P2RX7PDE4APDE4B
SCHEMBL5161254 0.83 CCNE2 (0.52) ADORA2AYTHDC1P2RX7
SCHEMBL12537447 0.82 P2RX7 (0.47) YTHDC1P2RX7
SCHEMBL5161381 0.80 YTHDC1 (0.55) ADORA2AYTHDC1P2RX7TMIGD3ADORA1
SCHEMBL3422012 0.80 ADORA2A (0.51) ADORA2AYTHDC1P2RX7CYP2D6CYP2C9
SCHEMBL12537281 0.79 ADORA2A (0.57) ADORA2AYTHDC1PDE4APDE4BPDE4C

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-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 US disclosed
US-7189730-B2 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-03-13 US disclosed
EP-1456209-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2007-02-28 EP disclosed
EP-1456209-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-09-15 EP disclosed
US-20030149060-A1 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. 2003-08-07 US disclosed
WO-2003051882-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-06-26 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 (2 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-20030149060-A1 A2A adenosine receptor antagonists ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885YTHDC1 2858/4885P2RX7 61/4885
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS PI4KA, PIK3CA, PIKFYVE ADORA2A 953/4885YTHDC1 2270/4885P2RX7 212/4885

“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.