SCHEMBL4619486

SCHEMBL4619486

Cn1cc2c(n1)CCN(c1nnc(Cn3nccn3)n1-c1ccc(Cl)cc1)C2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
TRPA1 O75762 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
BCL6 P41182 1/20 0.30
IDH1 O75874 1/20 0.30
AVPR1A P37288 1/20 0.30

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
SCHEMBL4621202 0.88 PDK2 (0.31) PDK2KDM4EUSP2MAPTTSHR
SCHEMBL4624366 0.79 TRPA1 (0.34) KDM4EUSP2MAPTTSHRTRPA1
SCHEMBL4881588 0.78 MAPK1 (0.33) USP2TRPA1TRPM8AVPR1A
SCHEMBL4740390 0.78 TRPA1 (0.30) TRPA1TRPM8AVPR1A
SCHEMBL4619490 0.78 TRPA1 (0.39) KDM4EUSP2MAPTTSHRTRPA1
SCHEMBL4882039 0.78 USP2 (0.33) KDM4EUSP2MAPTTSHRTRPA1
SCHEMBL4622389 0.77 TRPA1 (0.38) KDM4EUSP2MAPTTSHRTRPA1
SCHEMBL4876933 0.76 AVPR2 (0.33) USP2TRPA1TRPM8AVPR1A
SCHEMBL4887345 0.75 TIPARP (0.36) KDM4EUSP2MAPTTSHRTRPA1
SCHEMBL4681115 0.74 TRPA1 (0.32) KDM4EUSP2MAPTTSHRTRPA1

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-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US claimed
EP-1885713-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-02-13 EP claimed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO claimed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
EP-1885713-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-02-13 EP disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 PDK2 4659/4885KDM4E 3032/4885USP2 4648/4885

“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.