SCHEMBL971373

SCHEMBL971373

Nc1ncc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 10/20 0.80
USP7 Q93009 3/20 0.80
MKNK1 Q9BUB5 2/20 0.71
CHEK2 O96017 2/20 0.71
FYN P06241 3/20 0.64
PDPK1 O15530 1/20 0.58
CDK1 P06493 1/20 0.58
CDK2 P24941 1/20 0.58
MKNK2 Q9HBH9 1/20 0.58
CYP1A2 P05177 1/20 0.54
KCNH2 Q12809 1/20 0.54
MINK1 Q8N4C8 1/20 0.54
TNIK Q9UKE5 1/20 0.54
SMARCA2 P51531 1/20 0.52
SMARCA4 P51532 1/20 0.52
PBRM1 Q86U86 1/20 0.52

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
SCHEMBL4620246 0.84 CHEK2 (1.00) MAP4K4USP7MKNK1CHEK2FYN
SCHEMBL3543470 0.83 MAP4K4 (0.59) MAP4K4USP7MKNK1CHEK2FYN
SCHEMBL709795 0.81 MAPT (0.59) MAP4K4USP7MKNK1CHEK2FYN
SCHEMBL13837178 0.81 KCNH2 (0.70) MAP4K4USP7MKNK1CHEK2FYN
SCHEMBL27961301 0.80 MAP4K4 (0.70) MAP4K4USP7MKNK1CHEK2FYN
SCHEMBL28030764 0.80 MAP4K4 (0.87) MAP4K4USP7CYP1A2KCNH2MINK1
SCHEMBL4412551 0.80 CYP2A6 (0.60) MAP4K4USP7MKNK1CHEK2FYN
SCHEMBL15359055 0.80 USP7 (0.60) MAP4K4USP7MKNK1CHEK2FYN
SCHEMBL29973626 0.80 MAP4K4 (0.70) MAP4K4USP7MKNK1CHEK2FYN
SCHEMBL18613367 0.79 FYN (1.00) FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867629-B2 Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-01-11 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP disclosed
US-20060154105-A1 Nitrogenous heterocyclic derivative and organic elecrtroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-07-13 US disclosed
EP-1582516-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-10-05 EP 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 MAP4K4 3254/4885USP7 3773/4885MKNK1 3096/4885
US-20060154105-A1 Nitrogenous heterocyclic derivative and organic elecrtroluminescent element employing the same L1CAM, NOTCH1, NUDC MAP4K4 3447/4885USP7 4822/4885MKNK1 3826/4885

“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.