SCHEMBL1662844

SCHEMBL1662844

CNC(=O)c1cc(N)c[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.61
BRD4 O60885 1/20 0.54
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
NPC1 O15118 1/20 0.49
DOT1L Q8TEK3 1/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTPN11 Q06124 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CHEK1 O14757 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
PDGFRA P16234 1/20 0.38
GSK3B P49841 1/20 0.38
RPS6KA3 P51812 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
SCHEMBL164296 0.78 CREBBP (0.63) CREBBPBRD4CCNCCDK8NPC1
SCHEMBL18415314 0.78 CREBBP (0.63) CREBBPBRD4CCNCCDK8NPC1
SCHEMBL24112863 0.76 CREBBP (0.61) CREBBPBRD4CCNCCDK8NPC1
SCHEMBL14267776 0.76 BAZ2B (0.54) KMT2AKDM4EALDH1A1GAA
SCHEMBL23718091 0.76 CREBBP (1.00) CREBBPBRD4CCNCCDK8NPC1
SCHEMBL18236158 0.76 CREBBP (0.61) CREBBPBRD4CCNCCDK8NPC1
SCHEMBL4884336 0.74
SCHEMBL25567051 0.73 CREBBP (0.58) CREBBPBRD4CCNCCDK8NPC1
SCHEMBL26043749 0.72 ALDH1A1 (0.36) CREBBPKDM4EALDH1A1GAA
SCHEMBL30761593 0.71 CCNC (0.34) CCNCCDK8KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023138412-A1 FUSED PYRIMIDIN-2-AMINE COMPOUNDS AS CDK20 INHIBITORS INSILICO MEDICINE IP LIMITED (CN) 2023-07-27 WO disclosed
WO-2023138412-A1 FUSED PYRIMIDIN-2-AMINE COMPOUNDS AS CDK20 INHIBITORS INSILICO MEDICINE IP LIMITED (CN) 2023-07-27 WO disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 CREBBP 2296/4885BRD4 325/4885CCNC 991/4885

“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.