SCHEMBL13828348

SCHEMBL13828348

CNc1nc(C)nc(N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36
DYRK1A Q13627 2/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ADRA2A P08913 1/20 0.36
ADORA2A P29274 1/20 0.36
HTT P42858 1/20 0.36
PIK3CD O00329 2/20 0.35
PIK3CG P48736 1/20 0.35
CHUK O15111 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34

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
SCHEMBL13828374 0.82 MEN1 (0.53) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL17254246 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDGAADYRK1A
SCHEMBL13828356 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL13828376 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL13828408 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL8559938 0.77 MEN1 (0.38) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4278150 0.75 KDM4E (0.48) ALDH1A1KDM4EHPGDGAAMAPK1
SCHEMBL17254265 0.75 CHUK (0.50) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL21277948 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL19778388 0.73 MAP2K7 (0.30) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2018-04-26 US disclosed
US-9775841-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
US-9775841-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
US-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2015-11-12 US disclosed
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-15 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 (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-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB ALDH1A1 4530/4885KDM4E 2926/4885HPGD 2692/4885
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB ALDH1A1 4530/4885KDM4E 2926/4885HPGD 2692/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB ALDH1A1 4530/4885KDM4E 2926/4885HPGD 2692/4885

“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.