SCHEMBL7110387

SCHEMBL7110387

CCc1cc(NCCNC2CCN(c3ncccn3)CC2)n2nc(C)c(-c3c(Cl)cc(OC)cc3Cl)c2n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 12/20 0.62
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSP90AA1 P07900 1/20 0.36
CRHR1 P34998 2/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 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
SCHEMBL1593954 0.91 NPY1R (0.75) NPY1RKDM4EMAPTNPSR1CRHR1
SCHEMBL1594161 0.90 NPY1R (0.64) NPY1RKDM4EMAPTNPSR1HSP90AA1
SCHEMBL1595236 0.86 NPY1R (0.77) NPY1RKDM4EMAPTNPSR1CRHR1
SCHEMBL1594184 0.85 NPY1R (0.61) NPY1RKDM4EMAPTNPSR1HSP90AA1
SCHEMBL1594339 0.84 NPY1R (0.62) NPY1RKDM4EMAPTNPSR1HSP90AA1
SCHEMBL7551732 0.81 NPY1R (0.49) NPY1RKDM4EMAPTNPSR1HSP90AA1
SCHEMBL7674802 0.81 NPY1R (0.84) NPY1RKDM4ECRHR1ALDH1A1MAPK1
SCHEMBL7549364 0.80 NPY1R (0.79) NPY1RKDM4EMAPTNPSR1CRHR1
SCHEMBL1594099 0.79 NPY1R (0.69) NPY1RKDM4EMAPTNPSR1CRHR1
SCHEMBL1593551 0.79 NPY1R (0.62) NPY1RKDM4EMAPTNPSR1CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NEUROGEN CORPORATION (US) 2003-04-10 US claimed
EP-1218379-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2002-07-03 EP claimed
US-6372743-B1 EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2002-04-16 US claimed
WO-2001023387-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NPY1R, NPY5R, NPY2R NPY1R 1/4885KDM4E 1742/4885MAPT 2820/4885

“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.