SCHEMBL17628210

SCHEMBL17628210

NC1CCCN(c2nc(Cl)nc3c2CCCC3)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.45
HRH3 Q9Y5N1 1/20 0.41
AKT1 P31749 1/20 0.41
DPP4 P27487 1/20 0.41
CDK9 P50750 2/20 0.38
DOT1L Q8TEK3 1/20 0.38
CCNT1 O60563 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
PAK4 O96013 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL17628207 1.00 HRH4 (0.45) HRH4HRH3AKT1DPP4CDK9
SCHEMBL25529505 0.80 HPGD (0.42) HRH4KDM4EALDH1A1
SCHEMBL602440 0.77 HRH4 (0.67) HRH4HRH3CDK9CCNT1KDM4E
SCHEMBL602441 0.77 HRH4 (0.67) HRH4HRH3CDK9CCNT1KDM4E
SCHEMBL26752518 0.77 HRH4 (0.40) HRH4
SCHEMBL17628112 0.76 HRH4 (0.45) HRH4KDM4EALDH1A1
SCHEMBL12225994 0.76 HRH4 (0.52) HRH4HRH3AKT1CDK9CCNT1
SCHEMBL3764571 0.76 HRH4 (0.66) HRH4HRH3CDK9CCNT1KDM4E
SCHEMBL23975679 0.76 HPGD (0.41) HRH4KDM4EALDH1A1
SCHEMBL30225185 0.76 HPGD (0.41) HRH4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152241-A9 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR YUHAN CORPORATION (KR) 2017-06-01 US disclosed
EP-3006439-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR Yuhan Corporation (KR) 2016-04-13 EP disclosed
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR YUHAN CORP (KR) 2016-03-31 US 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 (2 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-20170152241-A9 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 HRH4 4/4885HRH3 123/4885AKT1 2912/4885
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 HRH4 4/4885HRH3 123/4885AKT1 2912/4885

“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.