SCHEMBL12484388

SCHEMBL12484388

CCCc1cc(N2CCC[C@H]2COC)nc(Nc2ccc(Cl)c([N+](=O)[O-])c2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 15/20 0.39
▸ ADORA1 P30542 14/20 0.39
▸ EGFR P00533 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ IMPDH2 P12268 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ SYK P43405 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
SCHEMBL12484392 1.00 ADORA2A (0.39) ADORA2AADORA1EGFRCYP1A2ADORA3
SCHEMBL12485929 0.91 ALDH1A1 (0.45) ADORA2AADORA1EGFRCYP1A2ADORA3
SCHEMBL12485932 0.91 ALDH1A1 (0.45) ADORA2AADORA1EGFRCYP1A2ADORA3
SCHEMBL17745826 0.90 ADORA2A (0.40) ADORA2AADORA1CYP1A2ADORA3ADORA2B
SCHEMBL12486340 0.90 ADORA2A (0.39) ADORA2AADORA1EGFRCYP1A2ADORA3
SCHEMBL12486337 0.90 ADORA2A (0.39) ADORA2AADORA1EGFRCYP1A2ADORA3
SCHEMBL12484170 0.90 CDK1 (0.39) ADORA2AADORA1EGFRIMPDH2BRD4
SCHEMBL12484175 0.90 CDK1 (0.39) ADORA2AADORA1EGFRIMPDH2BRD4
Hydrochloric Acid SCHEMBL17745735 0.90 ADORA2A (0.39) ADORA2AADORA1CYP1A2ADORA3ADORA2B
SCHEMBL12486761 0.89 BRD4 (0.39) EGFRBRD4

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-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
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 (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 ADORA2A 262/4885ADORA1 138/4885EGFR 678/4885
US-20130338179-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 ADORA2A 262/4885ADORA1 138/4885EGFR 678/4885
US-20180111918-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 ADORA2A 262/4885ADORA1 138/4885EGFR 678/4885
US-10227330-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 ADORA2A 262/4885ADORA1 138/4885EGFR 678/4885

“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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