SCHEMBL15912908

SCHEMBL15912908

COCOc1ccc(N2CCN(c3ccc(-n4cn[nH]c4=O)cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.44
MAPT P10636 4/20 0.42
MAPK1 P28482 1/20 0.40
FFAR1 O14842 1/20 0.39
KMT2A Q03164 2/20 0.39
DRD2 P14416 2/20 0.39
RAB9A P51151 1/20 0.39
TNF P01375 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
TP53 P04637 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 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
SCHEMBL3117217 0.85 MAPT (0.52) MAPTKMT2ADRD2RAB9ATSHR
SCHEMBL6174590 0.80 RAB9A (0.53) MAPTRAB9AALDH1A1HTT
SCHEMBL8931690 0.79 GPR119 (0.58) GPR119MAPTKMT2ADRD2RAB9A
SCHEMBL14884466 0.78 GPR119 (0.48) GPR119MAPTKMT2ADRD2HTT
SCHEMBL8931695 0.78 MAPT (0.56) MAPTKMT2ADRD2RAB9ATSHR
SCHEMBL8723261 0.77 ACACB (0.41) GPR119MAPTKMT2ATSHRALDH1A1
SCHEMBL8931686 0.77 CHRNB2 (0.52) GPR119MAPTHTT
SCHEMBL8931663 0.77 GPR119 (0.55) GPR119MAPTKMT2ADRD2RAB9A
SCHEMBL8718494 0.76 HCAR1 (0.51) MAPTKMT2ATNFALDH1A1HTT
SCHEMBL20639686 0.75 GPR119 (0.48) GPR119MAPTHTTGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545666-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-10 US disclosed
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-11-17 US disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-07 US disclosed
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF UNIV JOHNS HOPKINS (US) 2016-09-15 US disclosed
US-9346791-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-24 US disclosed
US-9346791-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-24 US disclosed
US-20140221393-A1 Itraconazole Analogs and Use Thereof THE JOHNS HOPKINS UNIVERSITY 2014-08-07 US disclosed
US-20140221393-A1 Itraconazole Analogs and Use Thereof THE JOHNS HOPKINS UNIVERSITY 2014-08-07 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-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR GPR119 16/4885MAPT 3556/4885MAPK1 1948/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR GPR119 16/4885MAPT 3556/4885MAPK1 1948/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR GPR119 16/4885MAPT 3556/4885MAPK1 1948/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 GPR119 58/4885MAPT 2130/4885MAPK1 1415/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR GPR119 16/4885MAPT 3556/4885MAPK1 1948/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR GPR119 16/4885MAPT 3556/4885MAPK1 1948/4885

“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.