SCHEMBL11890328

SCHEMBL11890328

CC(C)CCNC1CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SMYD3 Q9H7B4 1/20 0.40
KDM4E B2RXH2 5/20 0.39
GLB1 P16278 1/20 0.36
HTT P42858 1/20 0.34
CYP2D6 P10635 2/20 0.34
SOS1 Q07889 1/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX1 P07099 1/20 0.33

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
SCHEMBL7776906 0.95 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7777018 0.93 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL3679901 0.93 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL4668397 0.90
SCHEMBL15934161 0.86 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL24437744 0.85 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL21799914 0.82 MMP8 (0.41) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL1241744 0.82 SMYD3 (0.41) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL12204173 0.82 SMYD3 (0.41) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL17743425 0.82 KDM4E (0.43) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9

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 13 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
EP-3668870-B1 6-AMINO-7,9-DIHYDRO-8H-PURIN-8-ONE DERIVATIVES AS IMMUNOSTIMULANT TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 EP disclosed
WO-2019035970-A1 6-AMINO-7,9-DIHYDRO-8H-PURIN-8-ONE DERIVATIVES AS IMMUNOSTIMULANT TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-21 WO disclosed
US-20190055246-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A HETEROBIARYL MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-21 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-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP disclosed
WO-2009026276-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 WO disclosed
CN-1084739-C Process for producing 2-hydroxybenzamide derivatives ZERIA PHARMACEUTICAL CO.,LTD. (JP) 2002-05-15 CN disclosed
CN-1261357-A Process for preparing 2-hydroxybenzamide derivatives ZERIA PHARM CO LTD (JP) 2000-07-26 CN 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 (5 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 ALDH1A1 1375/4885CYP1A2 815/4885CYP2C19 593/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885CYP1A2 815/4885CYP2C19 593/4885
US-20190055246-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A HETEROBIARYL MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR TLR7, TLR9, TLR1 ALDH1A1 3032/4885CYP1A2 2852/4885CYP2C19 2960/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885CYP1A2 815/4885CYP2C19 593/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885CYP1A2 815/4885CYP2C19 593/4885

“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.