SCHEMBL21484047

SCHEMBL21484047

NCc1ccccc1-c1cn2c(n1)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 12/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.42
GFER P55789 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL219606 0.81 WDR5 (0.56) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL3440357 0.75 LMNA (0.67) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL10750669 0.75 WDR5 (0.53) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL19991561 0.74 WDR5 (0.53) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL4839937 0.74 WDR5 (0.90) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL23382098 0.73 KCNA5 (0.44) WDR5ALDH1A1LMNA
SCHEMBL10750787 0.73 WDR5 (0.50) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL10745643 0.71 WDR5 (0.51) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL22920064 0.71 ALDH1A1 (0.44) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL989261 0.69 WDR5 (1.00) WDR5ALDH1A1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE LEAD DISCOVERY CENTER GMBH (DE) 2021-05-20 US disclosed
WO-2019197549-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE QURIENT CO., LTD. (KR) 2019-10-17 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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE CDK1, CDK2, CDK15 WDR5 539/4885ALDH1A1 1986/4885NPC1 3927/4885

“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.