SCHEMBL16704195

SCHEMBL16704195

O=C(O)Nc1cnccc1C(F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 8/20 0.47
▸ KDM4D Q6B0I6 4/20 0.41
▸ TRPV1 Q8NER1 3/20 0.40
▸ KDM6B O15054 3/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ EGLN3 Q9H6Z9 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL16703053 0.84 KDM4C (0.48) KDM4CKDM4DTRPV1KDM6BEPHX2
SCHEMBL16711027 0.82 KDM4C (0.43) KDM4CRAB9A
SCHEMBL16703056 0.74 GSK3B (0.69) MAPTGSK3B
SCHEMBL16711063 0.71 SLC6A2 (0.40) KDM4CKDM4DKDM6BKDM4EKDM4A
SCHEMBL5827069 0.71 KDM4C (0.46) KDM4CKDM4DKDM6BKDM4EKDM4A
Hydrochloric Acid SCHEMBL16703211 0.70 SLC6A2 (0.39) KDM4CKDM4DKDM6BKDM4EKDM4A
SCHEMBL1642548 0.70 TSHR (0.46) KDM4CKDM4DTRPV1KDM4ELMNA
SCHEMBL30600744 0.69 KDM4C (0.50) KDM4CKDM4DKDM6BKDM4EKDM4A
SCHEMBL2033252 0.69 KDM4C (0.50) KDM4CKDM4DKDM6BKDM4EKDM4A
SCHEMBL16703035 0.68 KDM4C (0.63) KDM4CKDM4DKDM6BKDM4EKDM4A

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 3133/4885TRPV1 2474/4885

“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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