SCHEMBL12849385

SCHEMBL12849385

CCc1cnc(C(C)(C)C)o1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.37
CCNE2 O96020 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
PIK3CA P42336 1/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30
CCNB3 Q8WWL7 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
SCHEMBL26347461 0.83 PIK3CG (0.35) PIK3CGCCNE2CCNE1CDK2PIK3CA
SCHEMBL19179773 0.81 PIK3CG (0.39) PIK3CGCCNE2CCNE1CDK2PIK3CA
SCHEMBL25604154 0.81
SCHEMBL18167004 0.81 CCNE2 (0.36) PIK3CGCCNE2CCNE1CDK2PIK3CA
SCHEMBL13561299 0.81 PIK3CG (0.36) PIK3CGCCNE2CCNE1CDK2PIK3CA
SCHEMBL18167003 0.81 PIK3CG (0.36) PIK3CGCCNE2CCNE1CDK2PIK3CA
SCHEMBL17109715 0.81 PIK3CG (0.36) PIK3CGCCNE2CCNE1CDK2PIK3CA
SCHEMBL13561301 0.78 ACHE (0.36) PIK3CGCCNE2CCNE1CDK2
SCHEMBL21325313 0.78 NUDT1 (0.35) PIK3CGCCNE2CCNE1CDK2
SCHEMBL20428051 0.78 PIK3CG (0.34) PIK3CGCCNE2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814384-B2 Inhibtors of Raf kinases KINNATE BIOPHARMA INC. (US) 2023-11-14 US disclosed
US-10301284-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-05-28 US disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
WO-2018019555-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2018-02-01 WO disclosed
US-9850238-B2 Optically active PDE10 inhibitor OMEROS CORPORATION (US) 2017-12-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20170096420-A1 OPTICALLY ACTIVE PDE10 INHIBITOR OMEROS CORPORATION 2017-04-06 US disclosed
US-7906655-B2 5,5'-(1,2-ethynediyl)bis(2-((2S)-1-((2R)-2-phenylpropanoyl)-2-pyrrolidinyl)-1H-benzimidazole); inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-15 US disclosed
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 US disclosed
US-7531556-B2 Compositions useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 US disclosed
US-20090099252-A1 NOVEL LAULIMALIDE ANALOGUES AS THERAPEUTIC AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 US disclosed
US-20080280973-A1 Laulimalide Analogues as Therapeutic Agents THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2008-11-13 US disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 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 (10 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-20100068176-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PIK3CG 557/4885CCNE2 2482/4885CCNE1 2587/4885
US-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PIK3CG 557/4885CCNE2 2482/4885CCNE1 2587/4885
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 PIK3CG 3834/4885CCNE2 2927/4885CCNE1 2905/4885
US-20170096420-A1 OPTICALLY ACTIVE PDE10 INHIBITOR PDE3A, PDE10A, PDE3B PIK3CG 701/4885CCNE2 4300/4885CCNE1 3897/4885
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 PIK3CG 161/4885CCNE2 1792/4885CCNE1 1138/4885
US-20080280973-A1 Laulimalide Analogues as Therapeutic Agents TUBB6, MAN2B1, TUBB1 PIK3CG 4232/4885CCNE2 4108/4885CCNE1 2891/4885
US-20090099252-A1 NOVEL LAULIMALIDE ANALOGUES AS THERAPEUTIC AGENTS TUBB6, TUBB1, TUBA1C PIK3CG 4269/4885CCNE2 4390/4885CCNE1 3264/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 PIK3CG 922/4885CCNE2 3280/4885CCNE1 2496/4885
US-11814384-B2 Inhibtors of Raf kinases RAF1, BRAF, ARAF PIK3CG 199/4885CCNE2 1432/4885CCNE1 864/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 PIK3CG 1488/4885CCNE2 64/4885CCNE1 4/4885

“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.