SCHEMBL7750667

SCHEMBL7750667

CC(C)CCNC(=O)C1CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.66
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 1/20 0.51
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
PSMB5 P28074 1/20 0.45
MMP2 P08253 1/20 0.45
MMP8 P22894 1/20 0.45
NAAA Q02083 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL23119218 0.93 HSD17B10 (0.59) HSD17B10KMT2AMEN1GAASMN1; SMN2
SCHEMBL12197922 0.93 HSD17B10 (0.59) HSD17B10KMT2AMEN1GAASMN1; SMN2
SCHEMBL15199100 0.93 HSD17B10 (0.59) HSD17B10KMT2AMEN1GAASMN1; SMN2
SCHEMBL6385930 0.92 HSD17B10 (0.62) HSD17B10KMT2AMEN1GAASMN1; SMN2
SCHEMBL12384303 0.92 HSD17B10 (0.62) HSD17B10KMT2AMEN1GAASMN1; SMN2
SCHEMBL10270126 0.91 HSD17B10 (0.57) HSD17B10KMT2AMEN1GAASMN1; SMN2
SCHEMBL22509724 0.91 HSD17B10 (0.57) HSD17B10KMT2AMEN1GAASMN1; SMN2
SCHEMBL5670215 0.90 HSD17B10 (0.60) HSD17B10KMT2AMEN1GAASMN1; SMN2
SCHEMBL29306398 0.88 HSD17B10 (0.54) HSD17B10KMT2AMEN1GAASMN1; SMN2
SCHEMBL13746181 0.87 GNAI3 (0.58) HSD17B10KMT2AMEN1GAASMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 US disclosed
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 WO disclosed
US-9926321-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2015-06-04 US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 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 (7 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-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 HSD17B10 2278/4885KMT2A 1561/4885MEN1 2088/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 HSD17B10 2278/4885KMT2A 1561/4885MEN1 2088/4885
US-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists TRPV1, TRPV2, TRPV5 HSD17B10 3517/4885KMT2A 1303/4885MEN1 2242/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 HSD17B10 2278/4885KMT2A 1561/4885MEN1 2088/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 HSD17B10 3967/4885KMT2A 1854/4885MEN1 3205/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 HSD17B10 863/4885KMT2A 1997/4885MEN1 298/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 HSD17B10 2278/4885KMT2A 1561/4885MEN1 2088/4885

“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.