SCHEMBL7038558

SCHEMBL7038558

COc1cc(Cl)c(-c2c(C)nn3c(Cl)cc(C)nc23)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 7/20 0.59
MAPT P10636 4/20 0.57
CYP1A2 P05177 2/20 0.52
GRM8 O00222 1/20 0.52
GRM7 Q14831 1/20 0.52
CRHR1 P34998 3/20 0.48
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1237267 0.84 CRHR1 (0.67) MAPTCRHR1
SCHEMBL1236802 0.79 CRHR1 (0.63) MAPTCRHR1
SCHEMBL7041260 0.79 NPY1R (0.78) NPY1RMAPTCYP1A2GRM8GRM7
SCHEMBL1237773 0.78 CRHR1 (0.65) MAPTCYP1A2GRM8GRM7CRHR1
SCHEMBL5730052 0.78 MAPT (0.68) NPY1RMAPTCRHR1MEN1ALDH1A1
SCHEMBL5787527 0.77 MAPT (0.62) NPY1RMAPTCRHR1MEN1ALDH1A1
SCHEMBL16946582 0.75 MAPT (0.69) MAPTCYP1A2CRHR1MAPK1TSHR
SCHEMBL7044245 0.74 NPY1R (1.00) NPY1RMAPTCRHR1MAPK1MEN1
SCHEMBL6467041 0.74 NPY1R (0.70) NPY1RMAPTCRHR1MAPK1MEN1
SCHEMBL5729134 0.73 NPY1R (0.85) NPY1RMAPTCRHR1MAPK1MEN1

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 disclosed
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 disclosed
US-6372743-B1 EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2002-04-16 US disclosed
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 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 (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 1/4885MAPT 2820/4885CYP1A2 1141/4885

“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.