SCHEMBL18704935

SCHEMBL18704935

CC(C)N1CCN(C(=O)N2CCC(c3ccccc3)C2)CC1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.87
KCNH2 Q12809 5/20 0.87
RAB9A P51151 9/20 0.52
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
TP53 P04637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 4/20 0.50
CYP2D6 P10635 1/20 0.50
ATM Q13315 1/20 0.50
HPGD P15428 1/20 0.50
LIPE Q05469 1/20 0.48
NFKB1 P19838 1/20 0.47
HTT P42858 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 1/20 0.47
STAT1 P42224 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL27842786 0.85 RAB9A (0.67) HRH3KCNH2RAB9ANPC1SMN1; SMN2
SCHEMBL18390882 0.85 KCNH2 (0.62) HRH3KCNH2RAB9ANPC1SMN1; SMN2
SCHEMBL20349507 0.84 KCNH2 (0.62) HRH3KCNH2RAB9ANPC1SMN1; SMN2
SCHEMBL18390868 0.81 HRH3 (0.58) HRH3KCNH2RAB9ANPC1SMN1; SMN2
SCHEMBL20965459 0.81 KCNH2 (0.58) HRH3KCNH2RAB9ANPC1SMN1; SMN2
SCHEMBL27888979 0.79 KCNH2 (0.73) HRH3KCNH2RAB9ANPC1SMN1; SMN2
SCHEMBL16886312 0.79 RAB9A (0.58) HRH3KCNH2RAB9ANPC1SMN1; SMN2
SCHEMBL27878990 0.78 ALDH1A1 (0.62) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL1197270 0.76 RAB9A (0.63) HRH3KCNH2RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL27448507 0.76 HRH3 (0.66) HRH3KCNH2RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 US disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 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-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-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 (8 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-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885RAB9A 885/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 HRH3 1469/4885KCNH2 3788/4885RAB9A 1205/4885
US-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885RAB9A 885/4885
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885RAB9A 885/4885
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885RAB9A 885/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885RAB9A 885/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 HRH3 1487/4885KCNH2 3779/4885RAB9A 1251/4885
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885RAB9A 885/4885

“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.