SCHEMBL4049024

SCHEMBL4049024

N#Cc1ccc(-c2ccc(N)c(C(F)(F)F)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.63
AR P10275 7/20 0.49
PGR P06401 2/20 0.45
MAP4K4 O95819 1/20 0.42
PTPN5 P54829 1/20 0.41
PDK2 Q15119 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MMP3 P08254 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
DGAT1 O75907 1/20 0.40
SOAT1 P35610 1/20 0.40
KCNH2 Q12809 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL568905 0.85 TRPV4 (0.53) KIF11ARTRPV4
SCHEMBL29403371 0.83 KIF11 (0.50) KIF11ARPGR
SCHEMBL349356 0.83 KIF11 (0.50) KIF11ARPGR
Water SCHEMBL28831861 0.82 KIF11 (0.61) KIF11ARPGRPDK2RXRA
Hydrochloric Acid SCHEMBL8644024 0.81 KIF11 (0.48) KIF11ARPGR
SCHEMBL397926 0.81 KIF11 (0.65) KIF11ARPGRPTPN5PDK2
SCHEMBL1011734 0.80 KIF11 (0.63) KIF11ARPGRPDK2RXRA
SCHEMBL7275576 0.79 KIF11 (0.63) KIF11ARPGRPTPN5PDK2
SCHEMBL3789405 0.78 KIF11 (0.48) KIF11PGRRXRARXRBRXRG
SCHEMBL29655663 0.77 TDP1 (0.61) KIF11PGRMAP4K4MMP3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824825-A4 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INT INC (BB) 2009-07-08 EP disclosed
US-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents MEDICURE INTERNATIONAL INC. (BB) 2008-12-11 US disclosed
US-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents MEDICURE INTERNATIONAL INC. (BB) 2008-12-11 US disclosed
US-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents MEDICURE INTERNATIONAL INC. (BB) 2008-12-11 US disclosed
EP-1824825-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS Medicure International Inc. (BB) 2007-08-29 EP disclosed
WO-2006045203-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INTERNATIONAL INC. (CA) 2006-05-04 WO disclosed
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents MEDICURE INTERNATIONAL INC. 2006-05-04 US 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 (2 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-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents PNPO, GP6, PFKP KIF11 4003/4885AR 4712/4885PGR 641/4885
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents PNPO, GP6, PFKP KIF11 4003/4885AR 4712/4885PGR 641/4885

“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.