SCHEMBL950298

SCHEMBL950298

Cn1ccnc1C(N)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
CYP2D6 P10635 1/20 0.49
MAPT P10636 2/20 0.46
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
RPS6KB1 P23443 1/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
FGB P02675 1/20 0.39
TNNI3 P19429 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
BRCA1 P38398 1/20 0.39
TNNT2 P45379 1/20 0.39
CASP7 P55210 1/20 0.39
TNNC1 P63316 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL30824582 1.00 KDM4E (0.65) KDM4ECYP2D6MAPTKMT2AL3MBTL1
Oxalic Acid SCHEMBL27786843 0.84 KDM4E (0.51) KDM4ECYP2D6MAPTKMT2AL3MBTL1
SCHEMBL632748 0.83 KDM4E (0.45) KDM4ECYP2D6MAPTL3MBTL1ALOX15
SCHEMBL1396167 0.83 KDM4E (0.45) KDM4ECYP2D6MAPTKMT2AL3MBTL1
SCHEMBL1160513 0.82 KDM4E (0.49) KDM4ECYP2D6MAPTKMT2AL3MBTL1
SCHEMBL24581974 0.81 KDM4E (0.48) KDM4ECYP2D6MAPTKMT2AL3MBTL1
SCHEMBL30824561 0.81 KDM4E (0.48) KDM4ECYP2D6MAPTKMT2AL3MBTL1
Oxalic Acid SCHEMBL1077806 0.81 KDM4E (0.48) KDM4ECYP2D6MAPTKMT2AL3MBTL1
SCHEMBL3401057 0.80 KDM4E (0.67) KDM4ECYP2D6MAPTKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL29054527 0.79 KDM4E (0.65) KDM4ECYP2D6MAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054445-A1 Amide Substituted Quinolines ASTRAZENECA AB (SE) 2009-02-26 US claimed
EP-1981882-A1 AMIDE SUBSTITUTED QUINOLINES AstraZeneca AB (SE) 2008-10-22 EP claimed
WO-2007086799-A1 AMIDE SUBSTITUTED QUINOLINES ASTRAZENECA AB (SE) 2007-08-02 WO claimed
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. 2024-02-29 US disclosed
US-20110021483-A1 Platinum (IV) Complexes PLATCO TECHNOLOGIES (PROPRIETARY) LIMITED (ZA) 2011-01-27 US disclosed
CN-101778857-A Platinum (IV) complex compound PLATCO TECHNOLOGIES PROPRIETAR 2010-07-14 CN disclosed
EP-2170913-A1 PLATINUM (IV) COMPLEXES Platco Technologies (Proprietary) Limited (ZA) 2010-04-07 EP disclosed
US-20090054445-A1 Amide Substituted Quinolines ASTRAZENECA AB (SE) 2009-02-26 US disclosed
WO-2008155727-A1 PLATINUM (IV) COMPLEXES PLATCO TECHNOLOGIES (PROPRIETARY) LIMITED (ZA) 2008-12-24 WO disclosed
EP-1981882-A1 AMIDE SUBSTITUTED QUINOLINES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007086799-A1 AMIDE SUBSTITUTED QUINOLINES ASTRAZENECA AB (SE) 2007-08-02 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 (3 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-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS NAMPT, NNT, NAPRT KDM4E 3301/4885CYP2D6 2332/4885MAPT 542/4885
US-20090054445-A1 Amide Substituted Quinolines RECQL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0 KDM4E 1830/4885CYP2D6 37/4885MAPT 2929/4885
US-20110021483-A1 Platinum (IV) Complexes OTC, OAT, SLC25A11 KDM4E 3423/4885CYP2D6 1078/4885MAPT 2182/4885

“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.