SCHEMBL20205891

SCHEMBL20205891

CC1(NC(=O)c2cc(F)cc(F)c2)CCN(S)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.39
MCHR1 Q99705 1/20 0.39
CCR3 P51677 1/20 0.38
CNR2 P34972 1/20 0.38
RET P07949 1/20 0.37
CHRM1 P11229 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
WDR5 P61964 1/20 0.35
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
NPC1 O15118 1/20 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
SCHEMBL20069668 0.87 MAPK1 (0.44) CACNA1HMCHR1CCR3CNR2RET
SCHEMBL20158859 0.83 MCHR1 (0.39) CACNA1HMCHR1CCR3CNR2RET
SCHEMBL20147576 0.83 MCHR1 (0.40) CACNA1HMCHR1CCR3CNR2RET
SCHEMBL21652026 0.83 MCHR1 (0.45) CACNA1HMCHR1CCR3CNR2RET
SCHEMBL20205829 0.77 RET (0.41) MCHR1CCR3CNR2RETCES2
SCHEMBL20205997 0.76 RET (0.49) CCR3RETWDR5NPC1DRD2
SCHEMBL25504105 0.74 SMN1; SMN2 (0.44) CNR2RETGSK3BRAB9A
SCHEMBL25504179 0.74 RET (0.42) MCHR1CNR2RETWDR5GSK3B
SCHEMBL13753622 0.73 BDKRB1 (0.46) CACNA1HCES2HDAC6
SCHEMBL20068946 0.73 CYP2C19 (0.61) ANO1CCNA2CDK2CCNA1NPC1

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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CACNA1H 4250/4885MCHR1 1063/4885CCR3 1128/4885

“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.