SCHEMBL21159149

SCHEMBL21159149

COc1ccnc(C(=O)N2C3CC2CN(S)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.47
MGLL Q99685 1/20 0.43
CSF1R P07333 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM5 P41594 1/20 0.38
TRPC6 Q9Y210 2/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL20070532 0.89 MGLL (0.46) RETMGLLCSF1RMEN1KMT2A
SCHEMBL20154558 0.86 RET (0.43) RETMGLLCSF1RMEN1KMT2A
SCHEMBL20148721 0.85 RET (0.44) RETMGLLCSF1RMEN1KMT2A
SCHEMBL20153138 0.83 PDE10A (0.45) RETCSF1RGRM5NOS3NOS1
SCHEMBL20154557 0.73 RET (0.46) RETMGLL
SCHEMBL20069573 0.71 PDE10A (0.46) RETCSF1RGRM5HCRTR1HCRTR2
SCHEMBL2624147 0.70 KDM4E (0.54) GRM5NOS3NOS1NOS2RAB9A
SCHEMBL16211028 0.70 CCR1 (0.52) GRM5NOS3NOS1NOS2RAB9A
SCHEMBL30753282 0.69 RAB9A (0.49) MEN1KMT2AGRM5NOS3NOS1
SCHEMBL22811914 0.68 RET (0.46) RETMEN1KMT2ARAB9ANPC1

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-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 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-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885MGLL 4881/4885CSF1R 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.