SCHEMBL12484397

SCHEMBL12484397

CCCc1cc(N2CCC(NCC3CC3)C2)nc(Nc2cccc(SC)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.39
HRH4 Q9H3N8 11/20 0.39
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 2/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
KCNH2 Q12809 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PKM P14618 1/20 0.33
PTK2 Q05397 1/20 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
SCHEMBL12484391 1.00 KHK (0.39) KHKHRH4CCNA2CDK2CCNA1
SCHEMBL17745910 0.89 HRH4 (0.45) HRH4HRH3KCNH2PKM
SCHEMBL12484825 0.85 KDM4E (0.42) HRH4KDM4ELMNAHCRTR1HCRTR2
SCHEMBL12484819 0.85 KDM4E (0.42) HRH4KDM4ELMNAHCRTR1HCRTR2
SCHEMBL12483308 0.85 CCNC (0.45) HRH4CDK1HRH3KCNH2
SCHEMBL12485668 0.85 IDH2 (0.48)
SCHEMBL12485665 0.85 IDH2 (0.48)
SCHEMBL12484503 0.85 CCNC (0.45) HRH4CDK1HRH3KCNH2
SCHEMBL12484358 0.85 HRH4 (0.44) HRH4CCNA2CDK2CCNA1CCNB2
SCHEMBL12484360 0.85 HRH4 (0.44) HRH4CCNA2CDK2CCNA1CCNB2

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-20180111918-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2018-04-26 US disclosed
US-9890138-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2018-02-13 US 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 (4 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 KHK 3382/4885HRH4 4/4885CCNA2 3877/4885
US-20130338179-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 KHK 3382/4885HRH4 4/4885CCNA2 3877/4885
US-20180111918-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 KHK 3382/4885HRH4 4/4885CCNA2 3877/4885
US-10227330-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 KHK 3382/4885HRH4 4/4885CCNA2 3877/4885

“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.