SCHEMBL4621202

SCHEMBL4621202

CC(C)n1cc2c(n1)CCN(c1nnc(Cn3nccn3)n1-c1ccc(Cl)cc1)C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
P2RX3 P56373 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
SCHEMBL4619486 0.88 PDK2 (0.32) PDK2KDM4EUSP2MAPTTSHR
SCHEMBL4624366 0.77 TRPA1 (0.34) KDM4EUSP2MAPTTSHR
SCHEMBL4881588 0.76 MAPK1 (0.33) USP2
SCHEMBL4619490 0.76 TRPA1 (0.39) KDM4EUSP2MAPTTSHR
SCHEMBL4882039 0.76 USP2 (0.33) KDM4EUSP2MAPTTSHRP2RX3
SCHEMBL4622389 0.75 TRPA1 (0.38) KDM4EUSP2MAPTTSHR
SCHEMBL4740390 0.74 TRPA1 (0.30)
SCHEMBL4876933 0.74 AVPR2 (0.33) USP2
SCHEMBL4887345 0.73 TIPARP (0.36) KDM4EUSP2MAPTTSHR
SCHEMBL4681115 0.72 TRPA1 (0.32) KDM4EUSP2MAPTTSHR

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 7 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
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.