SCHEMBL16703170

SCHEMBL16703170

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 12/20 0.60
▸ KDM4D Q6B0I6 5/20 0.60
▸ KDM6B O15054 6/20 0.49
▸ EGLN3 Q9H6Z9 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ KDM4A O75164 1/20 0.44
▸ DGAT2 Q96PD7 1/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ PLOD2 O00469 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ PLOD3 O60568 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL16703035 0.84 KDM4C (0.63) KDM4CKDM4DKDM6BEGLN3KDM4E
SCHEMBL16711090 0.82 KDM4C (0.50) KDM4CKDM4DKDM6BEGLN3NAMPT
SCHEMBL21056719 0.78 KDM4C (0.54) KDM4CKDM4DKDM6BEGLN3KDM4E
Tert-Butylamine SCHEMBL28092552 0.77 HDAC3 (0.52) KDM4CKDM4DALDH1A1CYP3A4CYP2C19
SCHEMBL21056865 0.75 KDM4E (0.53) KDM4CKDM4DKDM4EPOLBALDH1A1
SCHEMBL16710667 0.74 GSK3B (0.70) KDM4CKDM4D
SCHEMBL16711075 0.72 ALDH1A1 (0.55) KDM4CKDM4DKDM6BKDM4EKDM4A
Hydrochloric Acid SCHEMBL16703261 0.71 ALDH1A1 (0.53) KDM4CKDM4DKDM6BKDM4EKDM4A
SCHEMBL16702338 0.70 ATR (0.52) KDM4CKDM4D
SCHEMBL1643182 0.70 KDM4C (0.56) KDM4CKDM4DKDM6BEGLN3KDM4E

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
EP-3066092-B1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 — — EP disclosed
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
EP-3066092-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 — — EP 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 3133/4885KDM6B 1384/4885

“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