SCHEMBL20154558

SCHEMBL20154558

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.43
MGLL Q99685 1/20 0.41
HRH3 Q9Y5N1 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CSF1R P07333 3/20 0.36
GRM5 P41594 1/20 0.36
CPS1 P31327 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
OPRM1 P35372 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
SCHEMBL20148721 0.91 RET (0.44) RETMGLLHRH3PDE3BPDE3A
SCHEMBL21159149 0.86 RET (0.47) RETMGLLMEN1KMT2ACSF1R
SCHEMBL20070532 0.84 MGLL (0.46) RETMGLLHRH3MEN1KMT2A
SCHEMBL23555020 0.80 L3MBTL1 (0.46) RETGRM5KDM4E
SCHEMBL23555178 0.77 SIRT6 (0.43) RET
SCHEMBL20148714 0.75 PDE10A (0.43) RETCSF1RGRM5OPRM1
SCHEMBL20154564 0.72 RET (0.42) RETMGLL
SCHEMBL20349518 0.71 RET (0.45) RETMGLLCPS1
SCHEMBL20148709 0.69 L3MBTL1 (0.48) RETGRM5KDM4E
SCHEMBL20153138 0.69 PDE10A (0.45) RETCSF1RGRM5HCRTR1HCRTR2

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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180133213-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 (2 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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF RET 1/4885MGLL 4881/4885HRH3 1148/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885MGLL 4881/4885HRH3 1148/4885

“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.