SCHEMBL4881588

SCHEMBL4881588

Cc1ncc2c(n1)CN(c1nnc(Cn3nccn3)n1-c1ccc(Cl)cc1)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.33
HSP90AB1 P08238 1/20 0.33
TRPA1 O75762 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
AVPR2 P30518 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
AOC3 Q16853 1/20 0.31
LMNA P02545 2/20 0.31
USP2 O75604 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
CYP2C9 P11712 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KCNH2 Q12809 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
SCHEMBL4876933 0.92 AVPR2 (0.33) HSP90AB1TRPA1TRPM8AVPR2OXTR
SCHEMBL4882039 0.87 USP2 (0.33) HSP90AB1TRPA1TRPM8AVPR1AUSP2
SCHEMBL4624366 0.79 TRPA1 (0.34) MAPK1TRPA1TRPM8AVPR1AUSP2
SCHEMBL4619486 0.78 PDK2 (0.32) TRPA1TRPM8AVPR1AUSP2
SCHEMBL4884416 0.77 USP2 (0.35) MAPK1TRPA1TRPM8AVPR2OXTR
SCHEMBL4622389 0.76 TRPA1 (0.38) MAPK1TRPA1TRPM8AVPR1AUSP2
SCHEMBL4887345 0.76 TIPARP (0.36) HSP90AB1TRPA1TRPM8OXTRAVPR1A
SCHEMBL4621202 0.76 PDK2 (0.31) USP2
SCHEMBL4740390 0.75 TRPA1 (0.30) TRPA1TRPM8AVPR2OXTRAVPR1A
SCHEMBL4619490 0.75 TRPA1 (0.39) MAPK1TRPA1TRPM8OXTRAVPR1A

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 5 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
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 MAPK1 2518/4885HSP90AB1 2905/4885TRPA1 495/4885

“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.