SCHEMBL12486643

SCHEMBL12486643

CCCc1cc(N2CCOCC2)nc(Nc2cccc(SC)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 3/20 0.43
AIMP2 Q13155 1/20 0.43
SMG1 Q96Q15 3/20 0.43
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43
LMNA P02545 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CREBBP Q92793 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GBA1 P04062 1/20 0.41
VSIR Q9H7M9 1/20 0.41
PKMYT1 Q99640 1/20 0.41
MTOR P42345 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 2/20 0.40

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
Hydrochloric Acid SCHEMBL17698300 0.99 TP53 (0.45) TP53POLBMAPTKMT2AAIMP2
SCHEMBL12486502 0.90 SMN1; SMN2 (0.44) MAPTKMT2ACDK1CDK2LMNA
SCHEMBL12485910 0.85 CDK1 (0.56) TP53POLBMAPTKMT2AAIMP2
Hydrochloric Acid SCHEMBL17698231 0.84 CDK1 (0.55) TP53POLBMAPTKMT2AAIMP2
SCHEMBL12485520 0.84 MTOR (0.59) TP53POLBMAPTKMT2AAIMP2
SCHEMBL12486423 0.83 SMG1 (0.58) TP53POLBMAPTKMT2AAIMP2
Hydrochloric Acid SCHEMBL17698295 0.83 MTOR (0.58) TP53POLBMAPTKMT2AAIMP2
SCHEMBL12485625 0.83 USP2 (0.60) MAPTSMG1MTORRAF1BRAF
SCHEMBL12484358 0.82 HRH4 (0.44) CDK1CDK2PKMPAK4
SCHEMBL12484360 0.82 HRH4 (0.44) CDK1CDK2PKMPAK4

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 TP53 4272/4885POLB 1652/4885MAPT 3132/4885
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 TP53 4272/4885POLB 1652/4885MAPT 3132/4885
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 TP53 4272/4885POLB 1652/4885MAPT 3132/4885

“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.