SCHEMBL13043907

SCHEMBL13043907

CC(C)N1CCN(C(=O)CCN(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.48
KCNH2 Q12809 4/20 0.42
CYP2D6 P10635 2/20 0.42
SLC6A4 P31645 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAMPT P43490 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
CHRM1 P11229 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
SCHEMBL13043935 0.90 HRH3 (0.46) HRH3KCNH2CYP2D6SLC6A4KDM4E
SCHEMBL22414178 0.86 NAMPT (0.38) HRH3KDM4EALDH1A1NAMPTMEN1
SCHEMBL13043912 0.84 HRH3 (0.42) HRH3KCNH2CYP2D6SLC6A4KDM4E
SCHEMBL13043918 0.82 PAOX (0.44) HRH3KCNH2CYP2D6SLC6A4KDM4E
SCHEMBL13043878 0.81 HRH3 (0.49) HRH3KCNH2CYP2D6SLC6A4KDM4E
SCHEMBL16015485 0.79 HTR1A (0.46) KDM4EALDH1A1NAMPTMEN1USP2
SCHEMBL13043900 0.79 HRH3 (0.51) HRH3KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL10130724 0.79 HRH3 (0.51) HRH3KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL13043887 0.79 HRH3 (0.42) HRH3KCNH2CYP2D6SLC6A4KDM4E
SCHEMBL11948184 0.79 ATM (0.52) KDM4EALDH1A1L3MBTL1NAMPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2020-07-30 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-10174027-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-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-07-17 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-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 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-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
US-8829012-B2 CDK inhibitors G1 THERAPEUTICS, INC. (US) 2014-09-09 US disclosed
US-7829567-B2 Imino-indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-09 US disclosed
US-20090111987-A1 Imino-Indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-04-30 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 (11 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 1340/4885KCNH2 4007/4885CYP2D6 3133/4885
US-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885CYP2D6 3133/4885
US-20090111987-A1 Imino-Indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same IMPA1, IMPDH1, IPO5 HRH3 1002/4885KCNH2 200/4885CYP2D6 7/4885
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 HRH3 1469/4885KCNH2 3788/4885CYP2D6 3470/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885CYP2D6 3133/4885
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD HRH3 3572/4885KCNH2 4712/4885CYP2D6 2612/4885
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885CYP2D6 3133/4885
US-20190127374-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885CYP2D6 3133/4885
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885CYP2D6 3133/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885CYP2D6 3133/4885
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HRH3 1340/4885KCNH2 4007/4885CYP2D6 3133/4885

“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.