SCHEMBL12484425

SCHEMBL12484425

CCCc1cc(N2CC[C@H](NC(=O)CO)C2)nc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 9/20 0.46
▸ SMO Q99835 2/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ SUV39H2 Q9H5I1 3/20 0.38
▸ CCNC P24863 2/20 0.38
▸ CDK8 P49336 2/20 0.38
▸ BTK Q06187 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
SCHEMBL12484429 1.00 HRH4 (0.46) HRH4SMOHRH3PKMMTNR1A
SCHEMBL12485982 0.94 BTK (0.43) HRH4SMOPKMBTK
SCHEMBL12485986 0.94 BTK (0.43) HRH4SMOPKMBTK
SCHEMBL12483304 0.89 HRH4 (0.47) HRH4HRH3PKMSUV39H2
SCHEMBL12485863 0.89 HRH4 (0.47) HRH4HRH3PKMSUV39H2
SCHEMBL17745731 0.89 HRH4 (0.47) HRH4HRH3PKMMTNR1AMTNR1B
SCHEMBL12484356 0.84 BTK (0.51) SUV39H2BTK
SCHEMBL12484351 0.84 BTK (0.51) SUV39H2BTK
SCHEMBL12484614 0.83 HRH4 (0.64) HRH4HRH3
SCHEMBL12484620 0.83 HRH4 (0.64) HRH4HRH3

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 4/4885SMO 1138/4885HRH3 50/4885
US-20130338179-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 HRH4 4/4885SMO 1138/4885HRH3 50/4885
US-20180111918-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 HRH4 4/4885SMO 1138/4885HRH3 50/4885
US-10227330-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 HRH4 4/4885SMO 1138/4885HRH3 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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