SCHEMBL1709279

SCHEMBL1709279

CC(C)(C)C(=O)NCc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.63
HDAC6 Q9UBN7 1/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA14 Q9ULX7 1/20 0.57
HTT P42858 2/20 0.54
GAA P10253 2/20 0.53
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 2/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
NAMPT P43490 1/20 0.49
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL20221145 0.84 RIPK1 (0.71) RAB9AHTTGAAALDH1A1MAPT
SCHEMBL9331393 0.84 RAB9A (0.58) RAB9AHTTGAAALDH1A1MAPT
SCHEMBL9331375 0.84 RAB9A (0.58) RAB9AHTTGAAALDH1A1MAPT
SCHEMBL28170723 0.83 RAB9A (0.56) RAB9AHTTGAAALDH1A1MAPT
SCHEMBL12265802 0.82 POLB (0.57) RAB9AHDAC6CA1CA2CA7
SCHEMBL20363334 0.82 RAB9A (0.55) RAB9AHTTGAAALDH1A1MAPT
SCHEMBL19169577 0.82 RAB9A (0.55) RAB9AHTTGAAALDH1A1MAPT
SCHEMBL17447491 0.82 RAB9A (0.55) RAB9AHTTGAAALDH1A1MAPT
SCHEMBL3614049 0.81 NAMPT (0.56) RAB9AHTTGAAALDH1A1MAPT
SCHEMBL1516186 0.81 RIPK1 (0.71) RAB9AHDAC6CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
US-10173980-B2 Mixed disulfide conjugates of thienopyridine compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-01-08 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-20180155289-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-06-07 US disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 US disclosed
US-8026368-B2 Hydrazide compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-27 US disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-08 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 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 (12 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO RAB9A 2417/4885HDAC6 1696/4885CA1 3499/4885
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, HK1 RAB9A 3408/4885HDAC6 2316/4885CA1 3085/4885
US-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 RAB9A 1789/4885HDAC6 1870/4885CA1 4865/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC RAB9A 1550/4885HDAC6 193/4885CA1 4836/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR RAB9A 4069/4885HDAC6 3771/4885CA1 3605/4885
US-10173980-B2 Mixed disulfide conjugates of thienopyridine compounds and uses thereof TST, TXN, TXNRD2 RAB9A 2782/4885HDAC6 281/4885CA1 3057/4885
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, THPO, PTAFR RAB9A 1952/4885HDAC6 1489/4885CA1 2064/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP RAB9A 1456/4885HDAC6 1725/4885CA1 4847/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 RAB9A 3158/4885HDAC6 783/4885CA1 4853/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO RAB9A 2417/4885HDAC6 1696/4885CA1 3499/4885
US-20180155289-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF TST, TXN, TXNRD2 RAB9A 2782/4885HDAC6 281/4885CA1 3057/4885
US-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 RAB9A 2029/4885HDAC6 888/4885CA1 810/4885

“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.