SCHEMBL6202952

SCHEMBL6202952

O=c1cc(-c2ccncn2)n2n1Cc1ccccc1C2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.40
RXFP1 Q9HBX9 1/20 0.37
CDC7 O00311 1/20 0.36
NAMPT P43490 1/20 0.34
CYP2D6 P10635 1/20 0.34
P2RX7 Q99572 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL29640865 0.73 GSK3B (0.36) GSK3BCDC7NAMPTCYP2D6P2RX7
SCHEMBL1569062 0.64 GSK3B (0.44) GSK3BCYP2D6
SCHEMBL29640772 0.63 CYP1A2 (0.39) GSK3BNAMPTCYP2D6
SCHEMBL4155064 0.63 TRAP1 (0.55) HDAC1HDAC2
SCHEMBL2814353 0.61 HSP90AA1 (0.52) GSK3BCDC7CYP2D6P2RX7
SCHEMBL30595872 0.61 HSP90AA1 (0.52) GSK3BCDC7CYP2D6P2RX7
SCHEMBL10601314 0.60 MAPK9 (0.43) GSK3BCYP2D6
SCHEMBL6201451 0.60 RXFP1 (0.52) GSK3BRXFP1
SCHEMBL4759558 0.60 GSK3B (0.55) GSK3BCYP2D6
SCHEMBL29640776 0.60 GSK3B (0.37) GSK3BCDC7P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427727-B1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES PROCTER & GAMBLE (US) 2005-01-26 EP disclosed
US-6821971-B2 FOR PROPHYALXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE (IBS), SEPTIC SHOCK, CARDIOPULMONARY DYSFUNCTION, ACUTE RESPIRATORY DISEASE, CACHEXIA THE PROCTER & GAMBLE COMPANY 2004-11-23 US disclosed
US-20030105084-A1 Compound which inhibit the release of inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-06-05 US 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-20030105084-A1 Compound which inhibit the release of inflammatory cytokines IL1B, IL1A, TNF GSK3B 3223/4885RXFP1 421/4885CDC7 3140/4885

“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.