SCHEMBL18713073

SCHEMBL18713073

COC(CNC(=O)C1CCN(C(C)C)CC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.41
ACKR3 P25106 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
EPHX2 P34913 3/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM4 P08173 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
SCHEMBL18390104 0.86 RET (0.43) RETACKR3HSD17B10MTNR1AMTNR1B
SCHEMBL20328027 0.82 MTNR1A (0.45) RETACKR3HRH3HSD17B10MTNR1A
SCHEMBL20970615 0.80 RET (0.40) RETHRH3HSD17B10MTNR1AMTNR1B
SCHEMBL18713001 0.77 HSD17B10 (0.44) ACKR3HRH3HSD17B10CYP2D6SMN1; SMN2
SCHEMBL20328007 0.75 HSD17B10 (0.45) HRH3HSD17B10EPHX2CYP2D6SMN1; SMN2
SCHEMBL18713111 0.74 SMN1; SMN2 (0.45) HRH3CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL26343768 0.74 HSD17B10 (0.44) HRH3HSD17B10CYP2D6SMN1; SMN2CYP3A4
SCHEMBL18712995 0.73 SMN1; SMN2 (0.43) RETHRH3CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL14978893 0.73 CHRM1 (0.57) MAPK1KDM4EALDH1A1CHRM4
SCHEMBL24474361 0.72 HSD17B10 (0.43) HRH3HSD17B10CYP2D6SMN1; SMN2KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 US disclosed
US-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 US disclosed
US-20190127374-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 US disclosed
US-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-06-28 US disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 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 (6 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-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885ACKR3 882/4885HRH3 1340/4885
US-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885ACKR3 882/4885HRH3 1340/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885ACKR3 882/4885HRH3 1340/4885
US-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF RET 1/4885ACKR3 882/4885HRH3 1340/4885
US-20190127374-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885ACKR3 882/4885HRH3 1340/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885ACKR3 882/4885HRH3 1340/4885

“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.