SCHEMBL12486229

SCHEMBL12486229

CCCc1cc(N2CCCC[C@H]2CCO)nc(Nc2ccc(Cl)c([N+](=O)[O-])c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.38
▸ CDK9 P50750 5/20 0.38
▸ CCNE1 P24864 3/20 0.38
▸ CDK7 P50613 3/20 0.38
▸ CCNT1 O60563 2/20 0.38
▸ CCNK O75909 2/20 0.38
▸ CCNH P51946 2/20 0.38
▸ MNAT1 P51948 2/20 0.38
▸ CDK13 Q14004 2/20 0.38
▸ CDK12 Q9NYV4 2/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CDK5 Q00535 4/20 0.36
▸ CDK1 P06493 3/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ TAOK1 Q7L7X3 2/20 0.36
▸ CCNT2 O60583 1/20 0.36
▸ CCNB2 O95067 1/20 0.36

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
SCHEMBL12486233 1.00 CDK2 (0.38) CDK2CDK9CCNE1CDK7CCNT1
Hydrochloric Acid SCHEMBL12484786 0.99 CDK2 (0.38) CDK2CDK9CCNE1CDK7CCNT1
SCHEMBL12486761 0.92 BRD4 (0.39) BRD4MEN1KMT2ALMNASMN1; SMN2
SCHEMBL12486097 0.91 ALDH1A1 (0.44) CDK2CDK9CCNE1CDK7CCNT1
Hydrochloric Acid SCHEMBL17698285 0.91 BRD4 (0.39) BRD4MEN1KMT2ALMNASMN1; SMN2
SCHEMBL12484170 0.91 CDK1 (0.39) BRD4MEN1KMT2ACDK1LMNA
SCHEMBL12484175 0.91 CDK1 (0.39) BRD4MEN1KMT2ACDK1LMNA
SCHEMBL12485476 0.91 CDK2 (0.38) CDK2CDK9CCNE1CDK7CCNT1
SCHEMBL12486855 0.91 CDK2 (0.39) CDK2CDK9CCNE1CDK7CCNT1
SCHEMBL12486568 0.91 CDK2 (0.38) CDK2CDK9CCNE1CDK7CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2020-05-05 — — US claimed
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2018-03-15 — — US claimed
US-9850227-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2017-12-26 — — US claimed
EP-2678331-B1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2016-04-27 — — EP claimed
EP-2678331-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2014-01-01 — — EP claimed
US-20130331377-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2013-12-12 — — US claimed
WO-2012115478-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-08-30 — — WO claimed
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2020-05-05 — — US disclosed
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2018-03-15 — — US disclosed
US-9850227-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2017-12-26 — — US disclosed
EP-2678331-B1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2016-04-27 — — EP disclosed
EP-2678331-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2014-01-01 — — EP disclosed
US-20130331377-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2013-12-12 — — US disclosed
WO-2012115478-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-08-30 — — 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 (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-20130331377-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 CDK2 1458/4885CDK9 557/4885CCNE1 2906/4885
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 CDK2 1458/4885CDK9 557/4885CCNE1 2906/4885
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 CDK2 1458/4885CDK9 557/4885CCNE1 2906/4885

“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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