SCHEMBL7922369

SCHEMBL7922369

Cc1cnc2cc(C)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
AURKA O14965 1/20 0.35
ALDH1A1 P00352 3/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
METAP2 P50579 2/20 0.33
METAP1 P53582 2/20 0.33
CBFB Q13951 1/20 0.33
PIN1 Q13526 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL29377586 1.00 CYP1A2 (0.41) CYP1A2CCR1CCR5CCR8NOS3
SCHEMBL8269416 0.81 ALDH1A1 (0.44) CYP1A2KMT2APOLBAURKAALDH1A1
SCHEMBL13154866 0.80 CYP1A2 (0.36) CYP1A2CCR1CCR5CCR8NOS3
SCHEMBL14640219 0.79 CYP2A6 (0.41) KMT2APOLBALDH1A1USP2HPGD
SCHEMBL15367010 0.79 DYRK1A (0.50) KMT2AAURKAALDH1A1HPGDHTT
SCHEMBL8529976 0.79 ADORA3 (0.31) ADORA3
SCHEMBL10147352 0.76 CYP1A2 (0.37) CYP1A2CCR1CCR5CCR8NOS3
SCHEMBL13188063 0.76 CYP1A2 (0.36) CYP1A2CCR1CCR5CCR8NOS3
SCHEMBL15478309 0.76 VCP (0.40) HTTGAA
SCHEMBL13154918 0.76 SCN10A (0.36) CYP1A2AURKAMETAP2KDM4ERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20230242557-A9 PROTEASOME ACTIVITY ENHANCING COMPOUNDS Kineta, Inc. 2023-08-03 US disclosed
US-20230242557-A9 PROTEASOME ACTIVITY ENHANCING COMPOUNDS Kineta, Inc. 2023-08-03 US disclosed
US-11242361-B2 Proteasome activity enhancing compounds PROTEOSTASIS THERAPEUTICS, INC. (US) 2022-02-08 US disclosed
US-20200308198-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PROTEOSTASIS THERAPEUTICS, INC. 2020-10-01 US disclosed
EP-3421464-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2019-01-02 EP disclosed
US-9850262-B2 Proteasome activity enhancing compounds PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-12-26 US disclosed
US-9850262-B2 Proteasome activity enhancing compounds PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-12-26 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20160333031-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PROTEOSTASIS THERAPEUTICS, INC. 2016-11-17 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
WO-2011136385-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-03 WO disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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 (11 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CYP1A2 3880/4885CCR1 4305/4885CCR5 4089/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP1A2 2958/4885CCR1 1589/4885CCR5 454/4885
US-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB CYP1A2 2432/4885CCR1 1872/4885CCR5 1490/4885
US-20160333031-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSMB1, PSMC1 CYP1A2 4052/4885CCR1 4853/4885CCR5 4884/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP1A2 205/4885CCR1 140/4885CCR5 57/4885
US-20230242557-A9 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSMB1, PSMC1 CYP1A2 4052/4885CCR1 4853/4885CCR5 4884/4885
US-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB CYP1A2 1106/4885CCR1 2213/4885CCR5 1519/4885
US-11242361-B2 Proteasome activity enhancing compounds PSMG3, PSMB1, PSMC1 CYP1A2 4052/4885CCR1 4853/4885CCR5 4884/4885
US-20200308198-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSMB1, PSMC1 CYP1A2 4052/4885CCR1 4853/4885CCR5 4884/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP1A2 205/4885CCR1 165/4885CCR5 47/4885
US-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 CYP1A2 1092/4885CCR1 2289/4885CCR5 3185/4885

“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.