SCHEMBL4047375

SCHEMBL4047375

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.59
MMP3 P08254 1/20 0.45
MAP4K4 O95819 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP11B2 P19099 5/20 0.42
CYP11B1 P15538 4/20 0.42
EGLN2 Q96KS0 2/20 0.42
PGR P06401 2/20 0.39
LIMK1 P53667 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL15234505 0.85 KIF11 (0.54) KIF11MMP3MAP4K4CA12CA1
SCHEMBL165867 0.84 ALDH1A1 (0.50) KIF11ALDH1A1CA12CA1CA2
SCHEMBL29726483 0.84 ALDH1A1 (0.50) KIF11ALDH1A1CA12CA1CA2
SCHEMBL29655663 0.82 TDP1 (0.61) KIF11MMP3MAP4K4ALDH1A1CA12
Methane SCHEMBL27670217 0.82 ALDH1A1 (0.48) KIF11ALDH1A1CA12CA1CA2
SCHEMBL15156687 0.82 TDP1 (0.61) KIF11MMP3MAP4K4ALDH1A1CA12
Hydrochloric Acid SCHEMBL29261706 0.82 ALDH1A1 (0.48) KIF11ALDH1A1CA12CA1CA2
SCHEMBL29924944 0.81 ALDH1A1 (0.62) KIF11MAP4K4ALDH1A1CA12CA1
SCHEMBL1099003 0.81 ALDH1A1 (0.62) KIF11MAP4K4ALDH1A1CA12CA1
SCHEMBL21044254 0.80 CYP11B2 (0.70) MAP4K4CYP11B2CYP11B1

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 4003/4885MMP3 3097/4885MAP4K4 2444/4885
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents PNPO, GP6, PFKP KIF11 4003/4885MMP3 3097/4885MAP4K4 2444/4885

“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.