SCHEMBL16711090

SCHEMBL16711090

C=C(c1ccccc1)c1ccncc1NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 7/20 0.50
▸ KDM4D Q6B0I6 4/20 0.50
▸ NAMPT P43490 2/20 0.46
▸ PDE5A O76074 2/20 0.43
▸ PDE4A P27815 2/20 0.43
▸ PDE1A P54750 2/20 0.43
▸ PDE1B Q01064 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ PDE3B Q13370 2/20 0.43
▸ PDE1C Q14123 2/20 0.43
▸ PDE3A Q14432 2/20 0.43
▸ KDM6B O15054 3/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ CYP17A1 P05093 4/20 0.40
▸ EGLN3 Q9H6Z9 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.39

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
SCHEMBL18126653 0.88 KDM4C (0.52) KDM4CKDM4DNAMPTPDE5APDE4A
SCHEMBL535637 0.83 KDM4C (0.58) KDM4CKDM4DNAMPTKDM6BCYP17A1
SCHEMBL16703170 0.82 KDM4C (0.60) KDM4CKDM4DNAMPTKDM6BEGLN3
SCHEMBL1715214 0.79 ATR (0.56) KDM4CNAMPTPDE5APDE4APDE1A
SCHEMBL18522430 0.77 NAMPT (0.50) KDM4CNAMPTCYP17A1ATRRAB9A
Tert-Butylamine SCHEMBL28092552 0.76 HDAC3 (0.52) KDM4CKDM4DRAB9A
SCHEMBL3717883 0.76 KDM4C (0.50) KDM4CKDM4DNAMPTPDE5APDE4A
SCHEMBL18126652 0.76 RXFP1 (0.45) KDM4CNAMPTPDE5APDE4APDE1A
SCHEMBL12955312 0.76 KDM4C (0.55) KDM4CKDM4DKDM6BEGLN3
SCHEMBL933049 0.75 KDM4C (0.46) KDM4CKDM4DNAMPTKDM6BCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809573-B2 Substituted pyridine derivatives useful as GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-07 — — US disclosed
US-20160289210-A1 Substituted Pyridine Derivatives Useful as GSK-3 Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-10-06 — — US disclosed
WO-2015069593-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — 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-20160289210-A1 Substituted Pyridine Derivatives Useful as GSK-3 Inhibitors GSK3B, GSK3A, GRIN3A KDM4C 3060/4885KDM4D 3133/4885NAMPT 1611/4885

“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.

Send feedback