SCHEMBL651413

SCHEMBL651413

CC(C)c1cccn2nccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.41
ROCK2 O75116 1/20 0.36
PRKG1 Q13976 1/20 0.36
GABRA1 P14867 3/20 0.35
FAAH O00519 2/20 0.35
GABRB2 P47870 2/20 0.35
TSHR P16473 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
GABRB1 P18505 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL10077954 0.92 MAP4K4 (0.45) MAP4K4ROCK2PRKG1TSHRCYP1A2
SCHEMBL19756599 0.80 MAP4K4 (0.38) MAP4K4GABRA1FAAHGABRB2TSHR
SCHEMBL16746086 0.77 MAP4K4 (0.33) MAP4K4FAAHMGLL
SCHEMBL17132587 0.76 ANPEP (0.33) MAP4K4ROCK2PRKG1
SCHEMBL22836925 0.76 ROCK2 (0.48) MAP4K4ROCK2PRKG1LMNAJAK2
SCHEMBL22836926 0.76 ROCK2 (0.48) MAP4K4ROCK2PRKG1LMNAJAK2
SCHEMBL6842161 0.74 DRD4 (0.43) MAP4K4TSHRLMNACYP1A2CYP3A4
SCHEMBL4569210 0.73 HSP90AA1 (0.36) TSHRGABRA5ALOX15
SCHEMBL21855867 0.72 MAP4K4 (0.39) MAP4K4DRD2DRD4DRD3PIK3CA
SCHEMBL8887892 0.72 MAP4K4 (0.40) MAP4K4TSHRCA2DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 US disclosed
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
EP-3953356-B1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-07-26 EP disclosed
EP-3877388-B1 5-[6-[[3-(4,5,6,7-TETRAHYDROPYRAZOLO[4,3-C]PYRIDIN-1-YL)AZETIDIN-1-YL]METHYL]MORPHOLIN-4-YL]QUINOLINE-8-CARBONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS TLR7-9 ANTAGONISTS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS HOFFMANN LA ROCHE (CH) 2023-07-26 EP disclosed
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed
US-20100324082-A1 ENANTIOMERIC COMPOSITIONS OF 2-AMINO-1-(2-ISOPROPYLPYRAZOLO[1,5-a]PYRIDIN-3-YL)PROPAN-1-ONE AND RELATED METHODS MEDICINOVA, INC. 2010-12-23 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 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 (9 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 MAP4K4 4010/4885ROCK2 3849/4885PRKG1 1932/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 MAP4K4 4010/4885ROCK2 3849/4885PRKG1 1932/4885
US-20100324082-A1 ENANTIOMERIC COMPOSITIONS OF 2-AMINO-1-(2-ISOPROPYLPYRAZOLO[1,5-a]PYRIDIN-3-YL)PROPAN-1-ONE AND RELATED METHODS OPRK1, OPRL1, OPRD1 MAP4K4 1383/4885ROCK2 3111/4885PRKG1 1826/4885
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA2, CNR2 MAP4K4 3285/4885ROCK2 2195/4885PRKG1 3329/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MAP4K4 145/4885ROCK2 1297/4885PRKG1 346/4885
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor NLRP3, NLRP1, NOD1 MAP4K4 3645/4885ROCK2 4256/4885PRKG1 4268/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 MAP4K4 4010/4885ROCK2 3849/4885PRKG1 1932/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS MAP4K4 2955/4885ROCK2 501/4885PRKG1 333/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS MAP4K4 2413/4885ROCK2 899/4885PRKG1 2411/4885

“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.