SCHEMBL12484716

SCHEMBL12484716

CCCc1cc(N2CCCC2CO)nc(Nc2cccc(SC)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ CDK1 P06493 5/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ BCL6 P41182 1/20 0.40
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ PDK2 Q15119 2/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ IMPDH2 P12268 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 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
SCHEMBL12484711 1.00 HCRTR1 (0.40) HCRTR1HCRTR2CDK1PRKCABCL6
SCHEMBL12484664 0.90 CDK2 (0.44) HCRTR1HCRTR2CDK1CCNA2CDK2
SCHEMBL12486219 0.90 CDK2 (0.40) HCRTR1HCRTR2CDK1CCNA2CDK2
Hydrochloric Acid SCHEMBL17698262 0.90 CDK2 (0.43) HCRTR1HCRTR2CDK1CCNA2CDK2
SCHEMBL12485074 0.89 ADORA2A (0.42) CDK1ADORA2AADORA1CCNA2CDK2
SCHEMBL12485077 0.89 ADORA2A (0.42) CDK1ADORA2AADORA1CCNA2CDK2
SCHEMBL12485061 0.88 HCRTR1 (0.40) HCRTR1HCRTR2CDK1ADORA2AADORA1
SCHEMBL12485066 0.88 HCRTR1 (0.40) HCRTR1HCRTR2CDK1ADORA2AADORA1
SCHEMBL12485987 0.87 CDK1 (0.53) CDK1PRKCABCL6ADORA2AADORA1
SCHEMBL12485983 0.87 CDK1 (0.53) CDK1PRKCABCL6ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890138-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2018-02-13 — — US claimed
EP-2678332-B1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2016-05-18 — — EP claimed
US-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2015-10-01 — — US claimed
EP-2678332-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2014-01-01 — — EP claimed
US-20130338179-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2013-12-19 — — US claimed
WO-2012115480-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-08-30 — — WO claimed
US-10227330-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2019-03-12 — — US disclosed
US-9890138-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2018-02-13 — — US disclosed
EP-2678332-B1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2016-05-18 — — EP disclosed
US-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2015-10-01 — — US disclosed
EP-2678332-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2014-01-01 — — EP disclosed
US-20130338179-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2013-12-19 — — US disclosed
WO-2012115480-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-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 HCRTR1 2396/4885HCRTR2 1980/4885CDK1 2108/4885
US-20130338179-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 HCRTR1 2396/4885HCRTR2 1980/4885CDK1 2108/4885
US-10227330-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 HCRTR1 2396/4885HCRTR2 1980/4885CDK1 2108/4885

“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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