SCHEMBL6551744

SCHEMBL6551744

O=c1[nH]cccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.45
KDR P35968 1/20 0.44
BACE1 P56817 1/20 0.43
MAOB P27338 2/20 0.42
TNKS O95271 2/20 0.42
WNT3A P56704 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
MAOA P21397 1/20 0.42
COMT P21964 1/20 0.41
PARP1 P09874 3/20 0.40
PARP2 Q9UGN5 1/20 0.40
NOTUM Q6P988 1/20 0.40
METAP2 P50579 1/20 0.40
TDP2 O95551 2/20 0.40
KDM4E B2RXH2 1/20 0.40
APAF1 O14727 1/20 0.40
NSD2 O96028 1/20 0.40
MAPT P10636 1/20 0.40
CASP3 P42574 1/20 0.40
GALK1 P51570 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
SCHEMBL16455963 0.81 BRD4 (0.43) KIF11TNKSTNKS2PARP1NOTUM
SCHEMBL25728205 0.81 KDM4E (0.44) TNKSKDM4EMAPTKMT2ADAO
SCHEMBL31032270 0.78 DAO (0.46) MAOBMAOACOMTPARP1TDP2
SCHEMBL149989 0.78 MAPT (0.57) TNKSPARP1NOTUMMAPTDAO
SCHEMBL1041294 0.77 ABL1 (0.42) COMTMETAP2DAO
SCHEMBL13736614 0.77 AURKA (0.52) KDRTNKSTNKS2PARP1MAPT
SCHEMBL12987176 0.77 TNKS (0.44) KDRTNKSTNKS2KDM4EMAPT
SCHEMBL2100160 0.77 MAPT (0.58) KDM4EMAPTBLMKMT2ADAO
SCHEMBL11689636 0.77 ALDH1A1 (0.47) KDRTNKSTNKS2KDM4EMAPT
SCHEMBL28027564 0.77 DAO (0.42) TNKSPARP1METAP2KDM4EMAPT

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-20040186104-A1 Novel pyridinone and related heterocyclic derivatives ASTRAZENECA AB (SE) 2004-09-23 US disclosed
EP-1387829-A1 NOVEL PYRIDINONE AND RELATED HETEROCYCLIC DERIVATIVES AstraZeneca AB (SE) 2004-02-11 EP disclosed
WO-2002090333-A1 NOVEL PYRIDINONE AND RELATED HETEROCYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-11-14 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-20040186104-A1 Novel pyridinone and related heterocyclic derivatives CBR1, CBR3, CHRM1 KIF11 4153/4885KDR 2061/4885BACE1 3166/4885

“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.