SCHEMBL5196386

SCHEMBL5196386

CC(=O)Nc1ncc2[nH]cnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.51
ALDH1A1 P00352 1/20 0.50
CCNT1 O60563 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
CCNH P51946 1/20 0.50
PAK1 Q13153 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 1/20 0.46
GDA Q9Y2T3 1/20 0.46
MAP3K7 O43318 1/20 0.45
MAP3K6 O95382 1/20 0.45
MAP3K5 Q99683 1/20 0.45
POLA1 P09884 1/20 0.45
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR1F P30939 1/20 0.44

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
SCHEMBL30151962 0.85 CDK2 (0.56) CDK2ALDH1A1CCNT1CDK1CCNB1
SCHEMBL19736375 0.84 CDK2 (0.49) CDK2ALDH1A1CCNT1CDK1CCNB1
SCHEMBL19728689 0.83 CDK2 (0.48) CDK2ALDH1A1CCNT1CDK1CCNB1
SCHEMBL28810103 0.80 CDK2 (0.48) CDK2ALDH1A1CCNT1CDK1CCNB1
SCHEMBL4511045 0.79 CDK2 (0.53) CDK2ALDH1A1CCNT1CDK1CCNB1
SCHEMBL8720225 0.78 CDK2 (0.59) CDK2ALDH1A1CCNT1CDK1CCNB1
SCHEMBL5072707 0.78 CDK2 (0.58) CDK2ALDH1A1CCNT1CDK1CCNB1
SCHEMBL3421971 0.78 CDK2 (0.58) CDK2ALDH1A1CCNT1CDK1CCNB1
SCHEMBL5828213 0.78 CDK2 (0.58) CDK2ALDH1A1CCNT1CDK1CCNB1
SCHEMBL4511042 0.77 CDK2 (0.51) CDK2ALDH1A1CCNT1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107722009-B Process for producing cyclopropane derivative 阿拉塔纳医疗股份有限公司 2020-12-01 CN disclosed
EP-3020712-B1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES ARATANA THERAPEUTICS NV (BE) 2018-07-04 EP disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
EP-3020712-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES Aratana Therapeutics NV (BE) 2016-05-18 EP disclosed
EP-2776414-B1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES ARATANA THERAPEUTICS NV (BE) 2016-03-16 EP disclosed
US-9040699-B2 Method for preparing cyclopropane derivatives ARATANA THERAPEUTICS NV (BE) 2015-05-26 US disclosed
US-20150051394-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES ARATANA THERAPEUTICS NV (BE) 2015-02-19 US disclosed
EP-2776414-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES Aratana Therapeutics NV (BE) 2014-09-17 EP disclosed
CN-103930413-A Process for producing cyclopropane derivative OKAPI SCIENCES NV 2014-07-16 CN disclosed
WO-2013068042-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES OKAPI SCIENCES NV (BE) 2013-05-16 WO disclosed
EP-1816135-A1 Production method of fluorinated purine nucleoside derivative, intermediate therefor and production method thereof Ajinomoto Co., Inc. (JP) 2007-08-08 EP disclosed
US-20070179290-A1 Production method of fluorinated purine nucleoside derivative, intermediate therefor and production method thereof AJINOMOTO CO. INC. (JP) 2007-08-02 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 (3 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-20150051394-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES HTR6, P2RY6, HTR1D CDK2 1245/4885ALDH1A1 780/4885CCNT1 963/4885
US-20070179290-A1 Production method of fluorinated purine nucleoside derivative, intermediate therefor and production method thereof PNP, NUDT1, ADAR CDK2 2906/4885ALDH1A1 385/4885CCNT1 874/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CDK2 647/4885ALDH1A1 1067/4885CCNT1 1443/4885

“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.