SCHEMBL18705111

SCHEMBL18705111

CC(=O)N1CCC(CN2CCN(C(C)C)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
KCNH2 Q12809 4/20 0.48
PIK3CD O00329 1/20 0.46
CYP2D6 P10635 2/20 0.43
CXCR3 P49682 1/20 0.41
HTR3A P46098 1/20 0.40
HTR4 Q13639 1/20 0.40
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.37
CCR2 P41597 1/20 0.37

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
SCHEMBL25558123 0.91 PIK3CD (0.44) HRH3KCNH2PIK3CDCYP2D6CXCR3
SCHEMBL22520608 0.86 HRH3 (0.44) HRH3KCNH2CYP2D6HTR4CACNA2D1
SCHEMBL25565194 0.85 PIK3CD (0.43) HRH3KCNH2PIK3CDCYP2D6KDM4E
SCHEMBL24671545 0.84 KCNH2 (0.47) HRH3KCNH2PIK3CDCYP2D6CXCR3
SCHEMBL22520624 0.84 CACNA2D1 (0.43) HRH3KCNH2CYP2D6CACNA2D1CACNA1B
SCHEMBL24475418 0.84 HRH3 (0.46) HRH3KCNH2PIK3CDCYP2D6
SCHEMBL27012385 0.84 CACNA2D1 (0.43) HRH3KCNH2CYP2D6CACNA2D1CACNA1B
SCHEMBL27325802 0.84 PIK3CD (0.69) PIK3CDCYP2D6CXCR3HTR3AHTR4
SCHEMBL24548062 0.84 HRH3 (0.39) HRH3KCNH2CYP2D6CACNA2D1CACNA1B
SCHEMBL27057099 0.83 KDM4E (0.54) HRH3KCNH2CYP2D6HTR4CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169643-A1 ESTROGEN RECEPTOR DEGRADING PROTACS ASTRAZENECA UK LIMITED (GB) 2022-06-02 US disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
US-20190127373-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-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-07-17 US disclosed
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-07-17 US disclosed
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 US disclosed
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 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
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 (9 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 HRH3 1340/4885KCNH2 4007/4885PIK3CD 1225/4885
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 HRH3 1469/4885KCNH2 3788/4885PIK3CD 1533/4885
US-20220169643-A1 ESTROGEN RECEPTOR DEGRADING PROTACS ESR1, GPER1, ESRRG HRH3 1546/4885KCNH2 3717/4885PIK3CD 3589/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885PIK3CD 1225/4885
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885PIK3CD 1225/4885
US-20190127374-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885PIK3CD 1225/4885
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885PIK3CD 1225/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885PIK3CD 1225/4885
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885PIK3CD 1225/4885

“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.