SCHEMBL12483304

SCHEMBL12483304

CCCc1cc(N2CCC(NC(C)=O)C2)nc(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.47
▸ SMPD3 Q9NY59 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ SUV39H2 Q9H5I1 4/20 0.42
▸ AKT1 P31749 1/20 0.41
▸ CNR2 P34972 3/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 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
SCHEMBL12485863 1.00 HRH4 (0.47) HRH4SMPD3HRH3PKMSUV39H2
SCHEMBL12486446 0.94 PDCD1LG2 (0.43) HRH4SMPD3PKMADORA2AADORA1
SCHEMBL12486449 0.94 PDCD1LG2 (0.43) HRH4SMPD3PKMADORA2AADORA1
SCHEMBL12485004 0.94 HRH4 (0.56) HRH4SMPD3HRH3SUV39H2AKT1
SCHEMBL12485008 0.94 HRH4 (0.56) HRH4SMPD3HRH3SUV39H2AKT1
SCHEMBL17745731 0.91 HRH4 (0.47) HRH4SMPD3HRH3PKMSUV39H2
SCHEMBL12484425 0.89 HRH4 (0.46) HRH4HRH3PKMSUV39H2
SCHEMBL12484429 0.89 HRH4 (0.46) HRH4HRH3PKMSUV39H2
SCHEMBL12484534 0.87 HRH4 (0.49) HRH4SMPD3
SCHEMBL12484536 0.87 HRH4 (0.49) HRH4SMPD3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH4 4/4885SMPD3 2267/4885HRH3 50/4885
US-20130338179-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 HRH4 4/4885SMPD3 2267/4885HRH3 50/4885
US-20180111918-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 HRH4 4/4885SMPD3 2267/4885HRH3 50/4885
US-10227330-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 HRH4 4/4885SMPD3 2267/4885HRH3 50/4885

“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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