SCHEMBL12485482

SCHEMBL12485482

CCCc1cc(N2CCCCC2CC)nc(Nc2ccc(F)c([N+](=O)[O-])c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ MAPT P10636 6/20 0.36
▸ GAA P10253 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ EGFR P00533 3/20 0.36
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ RAC1 P63000 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HTT P42858 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ BLM P54132 1/20 0.33
▸ MITF O75030 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
SCHEMBL12486855 0.92 CDK2 (0.39) ALDH1A1KMT2AMAPTGAAPOLB
SCHEMBL12483416 0.91 ADORA2A (0.38) ALDH1A1MAPTGAAPOLBEGFR
SCHEMBL12483411 0.91 ADORA2A (0.38) ALDH1A1MAPTGAAPOLBEGFR
SCHEMBL17698292 0.91 ALDH1A1 (0.47) ALDH1A1KMT2AMCOLN3MAPTEGFR
Hydrochloric Acid SCHEMBL17745947 0.90 ADORA2A (0.37) ALDH1A1MAPTGAAPOLBEGFR
Hydrochloric Acid SCHEMBL17745945 0.90 ADORA2A (0.37) ALDH1A1MAPTGAAPOLBEGFR
SCHEMBL12486761 0.90 BRD4 (0.39) ALDH1A1KMT2AMCOLN3MAPTGAA
SCHEMBL12486340 0.89 ADORA2A (0.39) EGFR
SCHEMBL12486337 0.89 ADORA2A (0.39) EGFR
Hydrochloric Acid SCHEMBL17698285 0.89 BRD4 (0.39) ALDH1A1KMT2AMCOLN3MAPTGAA

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 ALDH1A1 3199/4885KMT2A 4017/4885MCOLN3 3837/4885
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 ALDH1A1 3199/4885KMT2A 4017/4885MCOLN3 3837/4885
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 ALDH1A1 3199/4885KMT2A 4017/4885MCOLN3 3837/4885

“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.

Send feedback