SCHEMBL3480008

SCHEMBL3480008

CC(C)(C)OC(=O)N1Cc2n[nH]c(N)c2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
ADORA1 P30542 2/20 0.39
C5AR1 P21730 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F12 P00748 2/20 0.36
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MAPK1 P28482 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL22492346 0.88 ADORA1 (0.50) NR1H2ADORA1C5AR1USP2SMN1; SMN2
SCHEMBL22492311 0.88 ADORA1 (0.47) NR1H2ADORA1C5AR1USP2SMN1; SMN2
SCHEMBL24209724 0.85 ADORA1 (0.43) NR1H2ADORA1C5AR1USP2SMN1; SMN2
SCHEMBL6440181 0.85 NR1H2 (0.30) NR1H2
SCHEMBL5720840 0.84 NR1H2 (0.40) NR1H2ADORA1C5AR1USP2SMN1; SMN2
SCHEMBL30090465 0.84 NR1H2 (0.40) NR1H2C5AR1USP2SMN1; SMN2F12
SCHEMBL30707227 0.82 NR1H2 (0.39) NR1H2ADORA1C5AR1USP2SMN1; SMN2
SCHEMBL29723403 0.81 NR1H2 (0.38) NR1H2ADORA1C5AR1USP2SMN1; SMN2
SCHEMBL24209760 0.81 ADORA1 (0.45) NR1H2ADORA1USP2SMN1; SMN2F12
SCHEMBL30707378 0.81 NR1H2 (0.38) NR1H2C5AR1USP2SMN1; SMN2DDB1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563346-A Pyrrole [3,4-c ] pyrazole diamide derivatives and application thereof in antitumor drugs 守恒(厦门)医疗科技有限公司 2021-10-29 CN claimed
CN-113563346-A Pyrrole [3,4-c ] pyrazole diamide derivatives and application thereof in antitumor drugs 守恒(厦门)医疗科技有限公司 2021-10-29 CN disclosed
EP-2755652-B1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES NOVARTIS AG (CH) 2021-06-02 EP disclosed
EP-3008068-B1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES ASCENEURON SA (CH) 2020-12-30 EP disclosed
US-9505769-B2 Tetraaza-cyclopenta[a]indenyl derivatives ASCENEURON SA (CH) 2016-11-29 US disclosed
US-9505769-B2 Tetraaza-cyclopenta[a]indenyl derivatives ASCENEURON SA (CH) 2016-11-29 US disclosed
US-9505769-B2 Tetraaza-cyclopenta[a]indenyl derivatives ASCENEURON SA (CH) 2016-11-29 US disclosed
EP-2794608-B1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2016-09-14 EP disclosed
US-9403835-B2 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2016-08-02 US disclosed
US-9403835-B2 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2016-08-02 US disclosed
EP-2094081-B1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2012-07-11 EP disclosed
US-7855206-B2 Tricyclic heteroaromatic compounds as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-12-21 US disclosed
US-7855206-B2 Tricyclic heteroaromatic compounds as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-12-21 US disclosed
US-7855206-B2 Tricyclic heteroaromatic compounds as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-12-21 US disclosed
US-20100056550-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-20100056550-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-20100056550-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
EP-2094081-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2009-09-02 EP disclosed
WO-2008060488-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2008-05-22 WO disclosed
WO-2008060488-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2008-05-22 WO 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 (1 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-20100056550-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 NR1H2 2049/4885ADORA1 2830/4885C5AR1 2673/4885

“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.