SCHEMBL4882883

SCHEMBL4882883

Clc1ccc(-n2c(CN3Cc4cncnc4C3)nnc2Cn2nccn2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
HSP90AB1 P08238 1/20 0.32
HSD17B10 Q99714 2/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.31
CYP2C19 P33261 2/20 0.31
KCNH2 Q12809 2/20 0.31
AVPR2 P30518 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
CYP2C9 P11712 1/20 0.30
AOC3 Q16853 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4881580 0.91 HSD17B10 (0.35) USP2CYP1A2CYP3A4HSP90AB1HSD17B10
SCHEMBL4884416 0.86 USP2 (0.35) USP2CYP1A2CYP3A4HSD17B10CNR1
SCHEMBL4882039 0.82 USP2 (0.33) USP2CYP1A2CYP3A4HSP90AB1HSD17B10
SCHEMBL4875728 0.73 HSP90AB1 (0.35) CYP1A2HSP90AB1HSD17B10CYP2C19LMNA
SCHEMBL4887345 0.72 TIPARP (0.36) USP2CYP1A2CYP3A4HSP90AB1HSD17B10
SCHEMBL4876933 0.71 AVPR2 (0.33) USP2CYP1A2CYP3A4HSP90AB1KCNH2
SCHEMBL4619490 0.68 TRPA1 (0.39) USP2CYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL4881588 0.68 MAPK1 (0.33) USP2CYP1A2CYP3A4HSP90AB1HSD17B10
SCHEMBL28758727 0.68 TLR8 (0.36) HSD17B10KCNH2AVPR2OXTRAVPR1A
SCHEMBL4740390 0.67 TRPA1 (0.30) CNR1CNR2AVPR2OXTRAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 USP2 4648/4885CYP1A2 552/4885CYP3A4 533/4885

“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.