SCHEMBL20154459

SCHEMBL20154459

COC1CCC(C(=O)N2C3CC2CN(SC)C3)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL20160445 0.83 RET (0.35) RETHSD11B1NPC1RAB9AKMT2A
SCHEMBL21159142 0.79 RET (0.36) RETHSD11B1NPC1RAB9AKMT2A
SCHEMBL20071306 0.79 HSD11B1 (0.35) RETHSD11B1NPC1RAB9AKMT2A
SCHEMBL22031248 0.79 PIK3CD (0.41) RETMAPTCNR1
SCHEMBL20071313 0.70 RET (0.34) RETNPC1RAB9AKMT2ACNR1
SCHEMBL20160448 0.70 MAPT (0.42) MAPTCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL20160449 0.67 RET (0.34) RETHSD11B1NPC1RAB9AKMT2A
SCHEMBL20148604 0.67 RET (0.33) RET
SCHEMBL20071302 0.66 HRH3 (0.40) MAPTCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25569731 0.66

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 1/4885HSD11B1 2343/4885NPC1 4035/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885HSD11B1 2343/4885NPC1 4035/4885

“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.