SCHEMBL4881580

SCHEMBL4881580

Clc1ccc(-n2c(CN3CCc4cncnc4C3)nnc2Cn2nccn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
HSP90AB1 P08238 1/20 0.34
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
AOC3 Q16853 2/20 0.31
KCNH2 Q12809 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP2C19 P33261 1/20 0.30
LSS P48449 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
SCHEMBL4882883 0.91 USP2 (0.33) HSD17B10HSP90AB1LMNACYP1A2USP2
SCHEMBL4882039 0.87 USP2 (0.33) HSD17B10HSP90AB1CYP1A2USP2CYP3A4
SCHEMBL4884416 0.82 USP2 (0.35) HSD17B10CYP1A2USP2CYP3A4CNR1
SCHEMBL5145778 0.78 HSP90AB1 (0.48) HSP90AB1LMNAMAPTLSS
SCHEMBL4875728 0.77 HSP90AB1 (0.35) HSD17B10HSP90AB1LMNACYP1A2TRPV1
SCHEMBL4881588 0.74 MAPK1 (0.33) HSD17B10HSP90AB1LMNACYP1A2USP2
SCHEMBL5145876 0.72 PDE4B (0.42) HSP90AB1LMNAUSP2MAPTLSS
SCHEMBL4887345 0.70 TIPARP (0.36) HSD17B10HSP90AB1LMNACYP1A2USP2
SCHEMBL5141466 0.69 MAPT (0.53) HSD17B10LMNACYP1A2USP2CYP3A4
SCHEMBL5141439 0.69 SIGMAR1 (0.49) LMNAMAPTHTT

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 HSD17B10 1110/4885HSP90AB1 2905/4885LMNA 1476/4885

“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.