SCHEMBL3386454

SCHEMBL3386454

Cn1cnc2cc(N=C(c3ccccc3)c3ccccc3)cnc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.53
KMT2A Q03164 1/20 0.39
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
MAPK8 P45983 1/20 0.36
NAMPT P43490 1/20 0.33
IP6K1 Q92551 1/20 0.32
GAA P10253 1/20 0.32
GAK O14976 1/20 0.32
DYRK1A Q13627 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL20985934 0.84 GRM5 (0.38) GRM5KMT2AESR1ESR2GAA
SCHEMBL20986068 0.80 KMT2A (0.53) GRM5KMT2ANAMPTGAANPC1
SCHEMBL20985868 0.80 ADORA2A (0.36) GRM5GAA
SCHEMBL30071589 0.78 KMT2A (0.40) GRM5KMT2AESR1ESR2NPC1
SCHEMBL22705059 0.77 GRM5 (0.44) GRM5KMT2AESR1ESR2GAA
SCHEMBL30071529 0.77 GRM5 (0.36) GRM5KMT2AESR1ESR2IP6K1
SCHEMBL25356133 0.74 GRM5 (0.41) GRM5KMT2AIP6K1GAADYRK1A
SCHEMBL22587640 0.72 ESR1 (0.39) KMT2AESR1ESR2NPC1
SCHEMBL30018862 0.72 ESR1 (0.39) KMT2AESR1ESR2NPC1
SCHEMBL30071575 0.71 GRM5 (0.39) GRM5KMT2AGAACCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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 (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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 GRM5 243/4885KMT2A 3200/4885ESR1 228/4885

“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.