SCHEMBL20153138

SCHEMBL20153138

Cc1ccnc(C(=O)N2C3CC2CN(S)C3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
RET P07949 2/20 0.43
CSF1R P07333 2/20 0.40
PDE2A O00408 1/20 0.39
GRM5 P41594 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
LRRK2 Q5S007 1/20 0.33
DHODH Q02127 1/20 0.33
NAMPT P43490 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL20069573 0.88 PDE10A (0.46) PDE10ARETCSF1RPDE2AGRM5
SCHEMBL20148714 0.84 PDE10A (0.43) PDE10ARETCSF1RPDE2AGRM5
SCHEMBL21159149 0.83 RET (0.47) RETCSF1RGRM5CCR1CCR5
SCHEMBL20070532 0.71 MGLL (0.46) RETCSF1RGRM5ALDH1A1CCR1
SCHEMBL20154562 0.70 NNMT (0.45) RETHCRTR2
SCHEMBL15621622 0.69 PDE10A (0.54) PDE10ACSF1RPDE2AALDH1A1CCR1
SCHEMBL20148721 0.69 RET (0.44) RETCSF1RGRM5HCRTR1HCRTR2
SCHEMBL15070505 0.68 ALDH1A1 (0.51) PDE10APDE2AALDH1A1LMNASMN1; SMN2
SCHEMBL20069577 0.68 L3MBTL1 (0.51) PDE10ARETGRM5ALDH1A1LMNA
SCHEMBL14037108 0.67 UHRF1 (0.46) PDE10ACSF1RGRM5ALDH1A1LMNA

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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF PDE10A 822/4885RET 1/4885CSF1R 743/4885

“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.