SCHEMBL12484358

SCHEMBL12484358

CCCc1cc(N2CC[C@H](N)C2)nc(Nc2cccc(SC)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.44
IDH2 P48735 2/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
PAK4 O96013 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
PKM P14618 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
IKBKB O14920 2/20 0.37
KARS1 Q15046 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL12484360 1.00 HRH4 (0.44) HRH4IDH2CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL12485489 0.99 HRH4 (0.43) HRH4IDH2CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL12485493 0.99 HRH4 (0.43) HRH4IDH2CCNA2CDK2CCNA1
SCHEMBL17745921 0.85 PKM (0.41) HRH4CCNA2CDK2CCNA1PKM
SCHEMBL12484391 0.85 KHK (0.39) HRH4CCNA2CDK2CCNA1HRH3
SCHEMBL12484397 0.85 KHK (0.39) HRH4CCNA2CDK2CCNA1HRH3
SCHEMBL12486502 0.84 SMN1; SMN2 (0.44) IDH2CCNA2CDK2CCNA1CCNB2
SCHEMBL12485187 0.84 IDH2 (0.60) IDH2
SCHEMBL12484892 0.84 HRH4 (0.43) HRH4IDH2HRH3CDK1
SCHEMBL12485182 0.84 IDH2 (0.60) IDH2

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 11 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
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
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
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 HRH4 4/4885IDH2 3422/4885CCNA2 3877/4885
US-20180111918-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 HRH4 4/4885IDH2 3422/4885CCNA2 3877/4885
US-10227330-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 HRH4 4/4885IDH2 3422/4885CCNA2 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.