SCHEMBL4696530

SCHEMBL4696530

Cc1ncccc1CNc1c2c(nn1-c1cccc(Cl)c1Cl)CSC2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.58
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4698864 0.87 P2RX7 (0.55) P2RX7MAPTTHRBMEN1USP2
SCHEMBL4750584 0.85 P2RX7 (0.59) P2RX7
SCHEMBL4696025 0.85 P2RX7 (0.59) P2RX7
SCHEMBL4699632 0.84 P2RX7 (0.53) P2RX7MAPTTHRB
SCHEMBL5446699 0.80 MEN1 (0.53) MAPTTHRBMEN1USP2CYP3A4
SCHEMBL4753429 0.74 P2RX7 (0.63) P2RX7
SCHEMBL3590096 0.74 P2RX7 (1.00) P2RX7
SCHEMBL4755588 0.73 P2RX7 (0.57) P2RX7
SCHEMBL3292577 0.72 P2RX7 (0.74) P2RX7
SCHEMBL5448293 0.70 P2RX7 (0.54) P2RX7

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-1963275-A2 P2X7 RECEPTOR ANTAGONISTS AND USES THEREOF Abbott Laboratories (US) 2008-09-03 EP claimed
US-20070259920-A1 P2X7, receptor antagonists and uses thereof ABBOTT LABORATORIES 2007-11-08 US claimed
WO-2007056091-A2 2-PHENYL-2H-PYRAZ0LE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-05-18 WO claimed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20070259920-A1 P2X7, receptor antagonists and uses thereof ABBOTT LABORATORIES 2007-11-08 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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-20070259920-A1 P2X7, receptor antagonists and uses thereof P2RX7, P2RX1, P2RX3 P2RX7 1/4885MAPT 3930/4885THRB 477/4885

“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.