SCHEMBL1115502

SCHEMBL1115502

CC1(C)C=CC2(CC1)c1cnccc1-c1cnc(Nc3ccc(N4CCNCC4)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.45
▸ CDK1 P06493 3/20 0.45
▸ CCNB1 P14635 3/20 0.45
▸ CCNA2 P20248 2/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ CDK4 P11802 8/20 0.45
▸ CDK6 Q00534 4/20 0.45
▸ CCND1 P24385 4/20 0.42
▸ ACVR1 Q04771 4/20 0.42
▸ CCNE1 P24864 3/20 0.42
▸ STK17A Q9UEE5 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ FLT3 P36888 2/20 0.41
▸ CDK7 P50613 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ PDGFRB P09619 2/20 0.41
▸ PDGFRA P16234 2/20 0.41
▸ WEE1 P30291 2/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ AURKA O14965 1/20 0.41

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
SCHEMBL12727722 1.00 CDK2 (0.45) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL2565742 0.92 CDK4 (0.42) CDK1CCNB1CDK4CDK6CCND1
SCHEMBL1115258 0.91 CDK4 (0.51) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL12727721 0.91 CDK4 (0.51) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL15875549 0.84 CDK4 (0.47) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL12727736 0.83 CDK4 (0.51) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL12727743 0.81 CDK4 (0.49) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL12727726 0.80 CDK4 (0.39) CDK1CCNB1CDK4CDK6CCND1
SCHEMBL12162446 0.80 JAK3 (0.40) CDK2CDK1CCNB1CDK4CDK6
SCHEMBL1115176 0.80 JAK3 (0.40) CDK2CDK1CCNB1CDK4CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801455-A Method for oxidatively synthesizing p-carboxybenzene sulfonamide through oxygen 中国矿业大学 2016-07-27 — — CN claimed
CN-103834432-B A kind of method of ionic liquid intermediate fuel oil extraction oxidation sweetening INSTITUTE OF COAL CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-27 — — CN claimed
CN-104557640-A Method for preparing 2-nitro-4-methylsulfuryl benzoic acid by molecular oxygen catalytic oxidation WUHAN CHEMAX CHEMICAL IND CO LTD 2015-04-29 — — CN claimed
CN-103834432-A Method for extracting, oxidizing and desulfuring fuel oil in ionic liquid SHANXI COAL CHEM INST 2014-06-04 — — CN claimed
CN-102391167-B Method for preparing tert-butyl hydrogen peroxide and tert-butyl alcohol by oxidating isobutane UNIV XIANGTAN 2013-11-27 — — CN claimed
EP-2448889-B1 PROCESS FOR THE PREPARATION OF PHENOL AND CYCLOHEXANONE VERSALIS SPA (IT) 2013-06-05 — — EP claimed
US-8389533-B2 Gem-disubstituted and spirocyclic amino pyridines/pyrimidines as cell cycle inhibitors AMGEN INC. (US) 2013-03-05 — — US claimed
CN-102391167-A Method for preparing tert-butyl hydrogen peroxide and tert-butyl alcohol by oxidating isobutane UNIV XIANGTAN 2012-03-28 — — CN claimed
EP-2278973-B1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC (US) 2011-11-02 — — EP claimed
US-20110097305-A1 Gem-Disubstituted and Spirocyclic Amino Pyridines/Pyrimidines as Cell Cycle Inhibitors AMGEN INC. (US) 2011-04-28 — — US claimed
US-20110098509-A1 PROCESS FOR THE PREPARATION OF PHENOL BY MEANS OF NEW CATALYTIC SYSTEMS POLIMERI EUROPA S.P.A. (IT) 2011-04-28 — — US claimed
EP-2278973-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS Amgen Inc. (US) 2011-02-02 — — EP claimed
EP-1966114-B1 SELECTIVE OXIDATION OF ALKYLBENZENES EXXONMOBIL CHEM PATENTS INC (US) 2010-11-17 — — EP claimed
WO-2009126584-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-10-15 — — WO claimed
CN-101541745-A Method for preparing phenol by using novel catalytic system POLIMERI EUROPA SPA (IT) 2009-09-23 — — CN claimed
EP-2069298-A1 PROCESS FOR THE PREPARATION OF PHENOL BY MEANS OF NEW CATALYTIC SYSTEMS Polimeri Europa S.p.A. (IT) 2009-06-17 — — EP claimed
WO-2008037435-A1 PROCESS FOR THE PREPARATION OF PHENOL BY MEANS OF NEW CATALYTIC SYSTEMS POLIMERI EUROPA S.P.A. (IT) 2008-04-03 — — WO claimed
CN-105801455-A Method for oxidatively synthesizing p-carboxybenzene sulfonamide through oxygen 中国矿业大学 2016-07-27 — — CN disclosed
CN-101048378-A Process for the synthesis of n-alkoxyamines CIBA SC HOLDING AG (CH) 2007-10-03 — — CN disclosed
CN-1547564-A Method for producing saturated alcohols, ketones, aldehydes and carboxylic acids 1 2004-11-17 — — CN 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 (2 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-20110098509-A1 PROCESS FOR THE PREPARATION OF PHENOL BY MEANS OF NEW CATALYTIC SYSTEMS HPD, AOX1, CYP2E1 CDK2 1434/4885CDK1 1692/4885CCNB1 1587/4885
US-20110097305-A1 Gem-Disubstituted and Spirocyclic Amino Pyridines/Pyrimidines as Cell Cycle Inhibitors CDK4, CDK3, CDK6 CDK2 4/4885CDK1 22/4885CCNB1 25/4885

“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.

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