SCHEMBL17628018

SCHEMBL17628018

O=C(O)NC1CCCN(c2nc(Cl)nc3c2CCC3)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.45
PRKDC P78527 2/20 0.38
CNR1 P21554 1/20 0.37
TSHR P16473 3/20 0.36
LMNA P02545 1/20 0.36
NR4A1 P22736 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BTK Q06187 2/20 0.36
POLB P06746 1/20 0.35
JAK3 P52333 1/20 0.35
PPARA Q07869 2/20 0.35
GBA1 P04062 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
IGF1R P08069 1/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL17628112 0.98 HRH4 (0.45) HRH4PRKDCCNR1TSHRLMNA
SCHEMBL17628082 0.94 HRH4 (0.51) HRH4TSHRLMNANR4A1SMN1; SMN2
SCHEMBL17628231 0.90 HRH4 (0.46) HRH4PRKDCTSHRLMNANR4A1
SCHEMBL17628230 0.90 HRH4 (0.46) HRH4PRKDCTSHRLMNANR4A1
SCHEMBL17628042 0.87 HRH4 (0.46) HRH4PRKDCBTKJAK3OPRM1
SCHEMBL17628039 0.87 HRH4 (0.46) HRH4PRKDCBTKJAK3OPRM1
SCHEMBL17628110 0.84 HRH4 (0.53) HRH4TSHRLMNANR4A1SMN1; SMN2
SCHEMBL17628108 0.84 HRH4 (0.53) HRH4TSHRLMNANR4A1SMN1; SMN2
SCHEMBL17628416 0.82 BTK (0.54) HRH4BTKJAK3
SCHEMBL17628415 0.82 BTK (0.54) HRH4BTKJAK3

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 4/4885PRKDC 4342/4885CNR1 868/4885
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 HRH4 4/4885PRKDC 4342/4885CNR1 868/4885

“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.