SCHEMBL2858858

SCHEMBL2858858

N#Cc1ccccc1N1CCc2ncnc(N)c2C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 17/20 0.52
P2RX2 Q9UBL9 17/20 0.52
SLC2A1 P11166 1/20 0.41
SLC2A2 P11168 1/20 0.41
SLC2A3 P11169 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL9923771 0.85 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL14003523 0.84 P2RX3 (0.52) P2RX3P2RX2
SCHEMBL2869647 0.81 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL14003519 0.76 P2RX3 (0.47) P2RX3P2RX2SLC2A1SLC2A2SLC2A3
SCHEMBL2880520 0.76 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL22744018 0.73 P2RX3 (0.48) P2RX3P2RX2MAPT
SCHEMBL29439743 0.71 P2RX3 (0.42) P2RX3P2RX2
SCHEMBL22715138 0.71 P2RX3 (0.42) P2RX3P2RX2
SCHEMBL22715950 0.70 PIK3CD (0.37) P2RX3P2RX2
SCHEMBL22744641 0.70 PIK3CD (0.48) P2RX3P2RX2KDM4EALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139334-B1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2013-07-03 EP disclosed
US-20120149700-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSTIONS AND USES THEREOF WEI ZHI-LIANG (US) 2012-06-14 US disclosed
US-8076345-B2 2-cyanophenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine compounds, compositions and uses thereof EVOTEC AG (DE) 2011-12-13 US disclosed
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 EP disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 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-20120149700-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSTIONS AND USES THEREOF IL1B, IL1A, CRHR1 P2RX3 238/4885P2RX2 301/4885SLC2A1 4308/4885
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof CNR2, CNR1, CBR1 P2RX3 335/4885P2RX2 316/4885SLC2A1 3932/4885

“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.