SCHEMBL4069229

SCHEMBL4069229

COC(=O)Cc1cc(-c2ccccc2)ncc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LDHA P00338 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
SQOR Q9Y6N5 1/20 0.41
PIM1 P11309 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 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
SCHEMBL4062557 0.79 MAPT (0.41) HPGDRAB9ANPC1PKMNFKB1
SCHEMBL24127412 0.78 MAPK8 (0.40) HPGDRAB9ANPC1NFKB1NFKB2
SCHEMBL4069859 0.77 SQOR (0.50) HPGDRAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL4075302 0.76 KDR (0.45) RAB9ANPC1SMN1; SMN2LDHAALDH1A1
SCHEMBL4075279 0.76 SQOR (0.62) HPGDRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4479777 0.75 EGLN1 (0.43) HPGDRAB9ANPC1PKMNFKB1
SCHEMBL1558841 0.73 ALDH1A1 (0.51) HPGDRAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL13312281 0.73 LDHA (0.50) WNT3AHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL794054 0.72 MAPT (0.42) HPGDRAB9ANPC1NFKB1NFKB2
SCHEMBL12002395 0.70 KMO (0.50) HPGDRAB9ANPC1PKMNFKB1

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
US-7601736-B2 Such as 3,4-dihydro-pyrano[3,4-c]pyridine-1-on; cytokine suppressive antiinflammatory drugs; analgesics SK CHEMICALS CO., LTD. (KR) 2009-10-13 US disclosed
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
US-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same SK CHEMICALS CO., LTD. (KR) 2007-11-01 US disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 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-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same IL5, IL1B, P2RY4 WNT3A 2663/4885HPGD 72/4885RAB9A 2530/4885

“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.