SCHEMBL7037740

SCHEMBL7037740

Cc1cc(N(CCN)C2CCOCC2)n2nc(C)c(-c3c(Cl)cc(C4=CCCC4)cc3Cl)c2n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 7/20 0.42
CRHR1 P34998 8/20 0.41
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 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
SCHEMBL7545079 0.76 NPY1R (0.73) NPY1RCRHR1KMT2APOLBMEN1
SCHEMBL1593495 0.76 NPY1R (0.52) NPY1RCRHR1KMT2AMEN1
SCHEMBL7041916 0.74 NPY1R (0.51) NPY1RCRHR1
SCHEMBL1593291 0.74 NPY1R (0.47) NPY1RCRHR1
SCHEMBL1594404 0.73 NPY1R (0.49) NPY1RCRHR1
SCHEMBL1593501 0.72 NPY1R (0.47) NPY1RCRHR1
SCHEMBL6520712 0.72 NPY1R (0.49) NPY1RCRHR1
SCHEMBL1593564 0.72 CYP1A2 (0.48) NPY1RCRHR1
SCHEMBL1594245 0.72 NPY1R (0.47) NPY1RCRHR1
SCHEMBL1593270 0.70 NPY1R (0.56) NPY1RCRHR1

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 1 patent. 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

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 1/4885CRHR1 15/4885KMT2A 2998/4885

“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.