SCHEMBL10130037

SCHEMBL10130037

CCc1cc(C(C)C)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.46
COMT P21964 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
GRK6 P43250 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HCAR3 P49019 1/20 0.30

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
SCHEMBL1204695 0.83 HCAR2 (0.43) HCAR2COMTCCNA2CDK2CCNA1
SCHEMBL1205898 0.83 HCAR2 (0.49) HCAR2L3MBTL1CCNA2CDK2CCNA1
SCHEMBL28788307 0.81 L3MBTL1 (0.36) L3MBTL1LMNA
SCHEMBL25426735 0.81 HCAR2 (0.44) HCAR2COMTCCNA2CDK2CCNA1
SCHEMBL21209211 0.81 HCAR2 (0.46) HCAR2L3MBTL1LMNAHCAR3
SCHEMBL21209581 0.78 L3MBTL1 (0.43) HCAR2L3MBTL1LMNAHCAR3
SCHEMBL18019765 0.78 L3MBTL1 (0.35) L3MBTL1LMNA
SCHEMBL21217012 0.76 HCAR2 (0.35) HCAR2L3MBTL1LMNA
SCHEMBL27889050 0.75 HCAR2 (0.40) HCAR2COMTCCNA2CDK2CCNA1
SCHEMBL804646 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 US disclosed
EP-4289839-A1 NOVEL AURORA KINASE INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-12-13 EP disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
WO-2023023156-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-23 WO disclosed
US-20230008433-A1 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. 2023-01-12 US disclosed
US-20220411432-A1 MDM2 PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2022-12-29 US disclosed
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 EP disclosed
EP-4001276-A1 AURORA KINASE INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2022-05-25 EP disclosed
WO-2022078305-A1 HETEROCYCLIC DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-04-21 WO disclosed
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS HANDOK INC. (KR) 2016-06-16 US disclosed
WO-2014036492-A1 MODIFIED AMINO ACIDS COMPRISING AN AZIDO GROUP SUTRO BIOPHARMA, INC. (US) 2014-03-06 WO disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 US disclosed
US-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-02-02 US disclosed
US-7999107-B2 Psychological disorders; cognition activators; Alzheimer's disease; headaches; nervous system antiinflammatory agents; antiepileptic agents; Parkinson's disease; Huntington's disease; schizophrenia; eating disorders MERCK SHARP & DOHME CORP. (US) 2011-08-16 US disclosed
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-08-28 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 (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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 HCAR2 3943/4885COMT 4024/4885L3MBTL1 4032/4885
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HCAR2 4333/4885COMT 2382/4885L3MBTL1 3338/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 HCAR2 3943/4885COMT 4024/4885L3MBTL1 4032/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS HCAR2 4333/4885COMT 2382/4885L3MBTL1 3338/4885
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA HCAR2 1974/4885COMT 2985/4885L3MBTL1 3385/4885
US-20220411432-A1 MDM2 PROTEIN DEGRADERS MDM2, TP53, TP53BP1 HCAR2 4091/4885COMT 3330/4885L3MBTL1 180/4885
US-20230008433-A1 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP HCAR2 3425/4885COMT 3152/4885L3MBTL1 186/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 HCAR2 3943/4885COMT 4024/4885L3MBTL1 4032/4885
US-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE AR, NR5A1, ARL1 HCAR2 2631/4885COMT 2001/4885L3MBTL1 2834/4885
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH HCAR2 163/4885COMT 1449/4885L3MBTL1 3761/4885
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS NR4A3, NR4A1, NR3C1 HCAR2 1086/4885COMT 453/4885L3MBTL1 2040/4885

“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.