SCHEMBL20328015

SCHEMBL20328015

CCC(=O)N1CCN(C(C)CCC(=O)N2CCN(C(C)C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.45
▸ KDM4E B2RXH2 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ BLM P54132 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ CHRNB3 Q05901 1/20 0.35
▸ CHRNA6 Q15825 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
SCHEMBL21949424 0.93 HRH3 (0.49) HRH3KDM4EL3MBTL1ALDH1A1KCNH2
SCHEMBL10154480 0.86 HRH3 (0.46) HRH3KDM4EL3MBTL1ALDH1A1BLM
SCHEMBL23642400 0.82 ALDH1A1 (0.49) HRH3KDM4EL3MBTL1ALDH1A1CYP2D6
SCHEMBL12197880 0.81 HRH3 (0.50) HRH3KDM4EL3MBTL1ALDH1A1KCNH2
SCHEMBL18557478 0.80 HRH3 (0.47) HRH3KDM4EL3MBTL1ALDH1A1KCNH2
SCHEMBL16775761 0.80 CHRM1 (0.47) HRH3KDM4EL3MBTL1ALDH1A1BLM
SCHEMBL20621109 0.79 KDM4E (0.56) HRH3KDM4EL3MBTL1ALDH1A1BLM
SCHEMBL10130724 0.79 HRH3 (0.51) HRH3KDM4EL3MBTL1ALDH1A1KCNH2
SCHEMBL21017033 0.79 CNR1 (0.40) HRH3KDM4EL3MBTL1ALDH1A1KCNH2
SCHEMBL22570102 0.77 HSD11B1 (0.48) HRH3KDM4EALDH1A1KCNH2TDP1

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-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 — — US disclosed
US-10174027-B2 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 — — 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-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

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-10174027-B2 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HRH3 1340/4885KDM4E 695/4885L3MBTL1 1522/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 HRH3 1469/4885KDM4E 955/4885L3MBTL1 1495/4885
US-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HRH3 1340/4885KDM4E 695/4885L3MBTL1 1522/4885
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KDM4E 695/4885L3MBTL1 1522/4885
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KDM4E 695/4885L3MBTL1 1522/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KDM4E 695/4885L3MBTL1 1522/4885

“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.

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