SCHEMBL17710645

SCHEMBL17710645

O=C(O)C1(c2cn(CCN3Cc4cccc(Cl)c4C3)cn2)C=CC=CN1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ NAMPT P43490 3/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ ACACB O00763 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30
▸ KDM5A P29375 1/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30
▸ KDM5B Q9UGL1 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
SCHEMBL16033404 0.72 KDM2B (0.64) KDM2BKDM5AKDM4CKDM5B
SCHEMBL17710646 0.72 KDM2B (0.41) KDM2BKDM5AKDM4CKDM5B
SCHEMBL19101734 0.69 KDM2B (0.41) KDM2BPRMT5WDR77KDM5AKDM4C
SCHEMBL6206540 0.62 CRHBP (0.41) —
SCHEMBL16238565 0.61 LMNA (0.36) KDM4C
SCHEMBL29520117 0.61 LMNA (0.36) KDM4C
SCHEMBL16033410 0.58 KDM2B (0.74) KDM2BKDM5AKDM4CKDM5B
SCHEMBL3451078 0.57 AKR1C1 (0.36) —
SCHEMBL5242137 0.56 DRD3 (0.44) DRD2ACACB
SCHEMBL19101737 0.56 KDM2B (0.40) KDM2BPRMT5WDR77KDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527829-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2016-12-27 — — US disclosed
US-20160122314-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-05-05 — — 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-20160122314-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B S1PR1 3095/4885S1PR3 3219/4885NAMPT 1277/4885

“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.

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