SCHEMBL10194591

SCHEMBL10194591

Cn1ncc2c1CCc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
CSNK2A1 P68400 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
SETD7 Q8WTS6 1/20 0.43
HIF1A Q16665 1/20 0.42
CES1 P23141 1/20 0.39
DRD4 P21917 3/20 0.39
IDO1 P14902 1/20 0.39
SRD5A1 P18405 1/20 0.38
HRH1 P35367 5/20 0.38
HTR2A P28223 3/20 0.38
ADRA1A P35348 3/20 0.38
HTR2B P41595 3/20 0.38
CHRM2 P08172 2/20 0.38
HTR1A P08908 2/20 0.38
CHRM1 P11229 2/20 0.38
DRD2 P14416 2/20 0.38
HTR2C P28335 2/20 0.38
OPRK1 P41145 2/20 0.38
KCNH2 Q12809 2/20 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
SCHEMBL9535703 0.82 PLK1 (0.61) PLK1CSNK2A1PLK3HIF1ADRD4
Hydrochloric Acid SCHEMBL9534437 0.80 PLK1 (0.59) PLK1CSNK2A1PLK3HIF1ADRD4
SCHEMBL2709347 0.74 SIGMAR1 (0.47) PLK1CSNK2A1PLK3DRD4DRD2
SCHEMBL9533936 0.74 PLK1 (0.74) PLK1CSNK2A1PLK3HIF1ADRD4
SCHEMBL9211095 0.74 PLK1 (0.49) PLK1CSNK2A1PLK3HIF1ADRD4
Hydrochloric Acid SCHEMBL9216167 0.73 PLK1 (0.47) PLK1CSNK2A1PLK3HIF1ADRD4
Dihydrophenanthrene SCHEMBL30297028 0.71 CES1 (0.68) SETD7CES1SRD5A1KDM4EALDH1A1
Dihydrophenanthrene SCHEMBL155991 0.71 CES1 (0.68) SETD7CES1SRD5A1KDM4EALDH1A1
Dihydrophenanthrene SCHEMBL29404495 0.71 CES1 (0.68) SETD7CES1SRD5A1KDM4EALDH1A1
SCHEMBL22980483 0.69 PLK1 (0.79) PLK1CSNK2A1PLK3HIF1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL PLK1 1329/4885CSNK2A1 560/4885PLK3 628/4885

“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.