SCHEMBL3390357

SCHEMBL3390357

Cc1cc(C)nc(NC[C@@H]2C[C@H]3C[C@H]3CN2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.34
ALPL P05186 1/20 0.34
ALPG P10696 1/20 0.34
PLAA Q9Y263 1/20 0.34
VCP P55072 5/20 0.33
ATM Q13315 1/20 0.32
EHMT2 Q96KQ7 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3390358 1.00 KMT2A (0.38) KMT2AMAPK1GAAMEN1KDM4E
SCHEMBL9899569 0.77 KMT2A (0.38) KMT2AMAPK1GAAMEN1KDM4E
SCHEMBL933950 0.70 CYP3A4 (0.39) KMT2AMAPK1GAAMEN1KDM4E
SCHEMBL933948 0.70 CYP3A4 (0.39) KMT2AMAPK1GAAMEN1KDM4E
SCHEMBL16530794 0.69 CYP3A4 (0.39) KMT2AMAPK1GAAMEN1KDM4E
SCHEMBL16530797 0.69 CYP3A4 (0.39) KMT2AMAPK1GAAMEN1KDM4E
SCHEMBL13309093 0.68
SCHEMBL15230074 0.68 KMT2A (0.36) KMT2AMAPK1GAAMEN1KDM4E
SCHEMBL3387279 0.63 IL1B (0.44)
SCHEMBL3387277 0.63 IL1B (0.44)

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
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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 (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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B KMT2A 1395/4885MAPK1 3816/4885GAA 1250/4885

“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.