SCHEMBL20147997

SCHEMBL20147997

CC(S)N1CCC(NC(=O)c2ncccc2Cl)C(O)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 3/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
CHRM1 P11229 1/20 0.37
SMO Q99835 2/20 0.36
DYRK1A Q13627 1/20 0.36
CNR2 P34972 1/20 0.35
KDM5A P29375 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL20147664 0.92 RET (0.45) RETMEN1KMT2ACNR1HTR3E
SCHEMBL20068971 0.84 RET (0.46) RETMEN1KMT2ACNR1
SCHEMBL20147671 0.81 RET (0.46) RETMEN1KMT2AHTR3EHTR3B
SCHEMBL21651925 0.81 RET (0.46) RETMEN1KMT2ACNR1HTR3E
SCHEMBL20147670 0.80 RET (0.43) RETDYRK1AKDM5A
SCHEMBL20147666 0.78 RET (0.47) RETHTR3EHTR3BHTR3AHTR3D
SCHEMBL20147608 0.77 HRH3 (0.52) MEN1KMT2ADYRK1AKDM5AF10
SCHEMBL20147995 0.77 RET (0.38) RETMEN1KMT2ACNR1CNR2
SCHEMBL20147668 0.76 RET (0.47) RET
SCHEMBL20068980 0.74 RET (0.47) RETHTR3EHTR3BHTR3AHTR3D

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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
US-20180133207-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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 RET 1/4885MEN1 653/4885KMT2A 1112/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885MEN1 653/4885KMT2A 1112/4885

“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.