SCHEMBL2818339

SCHEMBL2818339

CCc1ncc(C(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.41
CCNE1 P24864 6/20 0.41
CDK5 Q00535 6/20 0.41
FDPS P14324 1/20 0.39
CCNT1 O60563 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK5R1 Q15078 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC5A2 P31639 1/20 0.34
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 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
SCHEMBL13413278 0.83 P2RX7 (0.34) CDK2CCNE1CDK5FDPSNPC1
SCHEMBL13533948 0.83 CDK2 (0.39) CDK2CCNE1CDK5FDPSCCNT1
SCHEMBL10121142 0.81 CDK2 (0.40) CDK2CCNE1CDK5FDPSCCNT1
SCHEMBL18174959 0.81 CDK2 (0.40) CDK2CCNE1CDK5FDPSCCNT1
SCHEMBL22930975 0.80 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2818612 0.79 ALDH1A1 (0.40) CDK2CCNE1CDK5FDPSCCNT1
SCHEMBL23558952 0.78 CCNE1 (0.38) CDK2CCNE1CDK5FDPSCCNT1
SCHEMBL12394764 0.78 CCNE1 (0.38) CDK2CCNE1CDK5FDPSCCNT1
SCHEMBL14425148 0.78 CCNE1 (0.38) CDK2CCNE1CDK5FDPSCCNT1
SCHEMBL12417805 0.75 CCNE1 (0.36) CDK2CCNE1CDK5FDPSCCNT1

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-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11873290-B2 2024-01-16 US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
EP-4180430-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Ark Biopharmaceutical Co., Ltd (CN) 2023-05-17 EP disclosed
WO-2023040793-A1 ANTI-INFLAMMATORY COMPOUND AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-03-23 WO disclosed
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 US disclosed
US-20230058677-A1 POLYCYCLIC PYRIDOPYRAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2023-02-23 US disclosed
US-8221737-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same DONG WHA PHARMACEUTICAL IND. CO., LTD. 2010-09-23 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
US-20080206479-A1 Organosilicon nanocluster, method of preparing the same and method of forming thin film using the same SAMSUNG ELECTRONICS CO., LTD 2008-08-28 US disclosed
US-20070189865-A1 Amino cyclopropane carboxamide derivatives as bradykinin antagonists MERCK & CO., INC. 2007-08-16 US disclosed
US-20070189865-A1 Amino cyclopropane carboxamide derivatives as bradykinin antagonists MERCK & CO., INC. 2007-08-16 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-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CDK2 40/4885CCNE1 91/4885CDK5 142/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CDK2 150/4885CCNE1 189/4885CDK5 325/4885
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 CDK2 517/4885CCNE1 2115/4885CDK5 210/4885
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 CDK2 1637/4885CCNE1 2553/4885CDK5 1362/4885
US-11873290-B2 IL6, MUSK, IL6ST CDK2 675/4885CCNE1 4079/4885CDK5 143/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CDK2 65/4885CCNE1 1825/4885CDK5 460/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 CDK2 568/4885CCNE1 2322/4885CDK5 323/4885
US-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same CMA1, IL5, HRH4 CDK2 2073/4885CCNE1 3326/4885CDK5 803/4885
US-20230058677-A1 POLYCYCLIC PYRIDOPYRAZINE DERIVATIVE C5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 CDK2 457/4885CCNE1 83/4885CDK5 742/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A CDK2 664/4885CCNE1 3734/4885CDK5 141/4885

“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.