SCHEMBL18713080

SCHEMBL18713080

CCCC(C)N1CCN(C(=O)CC2CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.39
▸ TPSAB1 Q15661 1/20 0.37
▸ TPSD1 Q9BZJ3 1/20 0.37
▸ TPSG1 Q9NRR2 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ UBE2M P61081 2/20 0.34
▸ DCUN1D1 Q96GG9 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ PARP1 P09874 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
SCHEMBL20328001 0.87 KDM4E (0.50) NAMPTKDM4ETPSAB1TPSD1TPSG1
SCHEMBL18390493 0.82 NAMPT (0.51) NAMPTKDM4ETPSAB1TPSD1TPSG1
SCHEMBL20970775 0.78 KDM4E (0.45) NAMPTKDM4ETPSAB1TPSD1TPSG1
SCHEMBL25443839 0.77 HRH3 (0.48) NAMPTKDM4ETPSAB1TPSD1TPSG1
SCHEMBL23449305 0.76 PIK3CD (0.48) KDM4EHRH3ALDH1A1PARP1
SCHEMBL20926962 0.76 KDM4E (0.40) KDM4EHRH3POLBNPSR1L3MBTL1
SCHEMBL17540498 0.75 NAMPT (0.51) NAMPTTPSAB1TPSD1TPSG1SMYD3
SCHEMBL29330578 0.75 NAMPT (0.42) NAMPTKDM4ETPSAB1TPSD1TPSG1
SCHEMBL14453896 0.73 HRH3 (0.45) NAMPTKDM4ETPSAB1TPSD1TPSG1
SCHEMBL19630484 0.73 KDM4E (0.38) KDM4EUBE2MDCUN1D1PARP1

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 4 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-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-07-17 — — 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 (4 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 NAMPT 3149/4885KDM4E 695/4885TPSAB1 3441/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 NAMPT 3925/4885KDM4E 955/4885TPSAB1 3994/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 NAMPT 4030/4885KDM4E 936/4885TPSAB1 4046/4885
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF NAMPT 3149/4885KDM4E 695/4885TPSAB1 3441/4885

“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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