SCHEMBL1237773

SCHEMBL1237773

COc1ccc(-c2c(C)nn3c(Cl)cc(C)nc23)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.65
TSHR P16473 3/20 0.56
MAPT P10636 3/20 0.54
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GRM8 O00222 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TACR1 P25103 1/20 0.49
GRM7 Q14831 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL1236802 0.89 CRHR1 (0.63) CRHR1MAPT
SCHEMBL1237267 0.89 CRHR1 (0.67) CRHR1MAPT
SCHEMBL14491021 0.87 CRHR1 (0.52) CRHR1TSHRMAPTHSD17B10KDM4E
SCHEMBL14350135 0.87 TSHR (0.55) CRHR1TSHRMAPTHSD17B10KDM4E
SCHEMBL5729669 0.85 CRHR1 (0.65) CRHR1TSHRMAPTHSD17B10KDM4E
SCHEMBL5447883 0.81 CRHR1 (0.86) CRHR1
SCHEMBL14491028 0.81 CRHR1 (0.86) CRHR1
SCHEMBL12018272 0.80 TSHR (0.50) CRHR1TSHRMAPTHSD17B10KDM4E
SCHEMBL14376825 0.79 TP53 (0.50) CRHR1TSHRMAPTHSD17B10KDM4E
SCHEMBL7038558 0.78 NPY1R (0.59) CRHR1TSHRMAPTMAPK1GRM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802627-B1 PYRAZOLO (1,5-ALPHA) PYRIMIDINYL DERIVATIVES USEFUL AS CORTICOTROPIN-RELEASING FACTOR (CRF) RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORK LTD (IE) 2012-08-29 EP disclosed
US-7879862-B2 Central nervous system disorders; psychological disorders; anxiolytic agents; irritable bowel syndrome; antidepressants SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2011-02-01 US disclosed
US-7879862-B2 Central nervous system disorders; psychological disorders; anxiolytic agents; irritable bowel syndrome; antidepressants SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2011-02-01 US disclosed
US-7879862-B2 Central nervous system disorders; psychological disorders; anxiolytic agents; irritable bowel syndrome; antidepressants SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2011-02-01 US disclosed
US-20080194589-A1 Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-08-14 US disclosed
US-20080194589-A1 Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-08-14 US disclosed
US-20080194589-A1 Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-08-14 US disclosed
EP-1802627-A1 PYRAZOLO (1,5-ALPHA) PYRIMIDINYL DERIVATIVES USEFUL AS CORTICOTROPIN-RELEASING FACTOR (CRF) RECEPTOR ANTAGONISTS SB Pharmco Puerto Rico Inc. (PR) 2007-07-04 EP disclosed
US-20070129382-A1 Crf receptor antagonists, their preparations, their pharmaceutical composition, and their uses SB PHARMCO PUERTO RICO (PR) 2007-06-07 US disclosed
US-20070129382-A1 Crf receptor antagonists, their preparations, their pharmaceutical composition, and their uses SB PHARMCO PUERTO RICO (PR) 2007-06-07 US disclosed
EP-1218381-B1 AMINO SUBSTITUTED PYRAZOLO¬1,5-a|-1,5-PYRIMIDINES AND PYRAZOLO¬1,5-a|-1,3,5-TRIAZINES NEUROGEN CORP (US) 2006-12-06 EP disclosed
WO-2006044958-A1 PYRAZOLO [1,5-ALPHA] PYRIMIDINYL DERIVATIVES USEFUL AS CORTICOTROPIN-RELEASING FACTOR (CRF) RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC. (PR) 2006-04-27 WO disclosed
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
US-6476038-B1 Amino substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo[1,5-a]-1,3,5-triazines NEUROGEN CORPORATION 2002-11-05 US disclosed
EP-1218381-A2 AMINO 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
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
WO-2001023388-A2 AMINO 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 (3 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-20070129382-A1 Crf receptor antagonists, their preparations, their pharmaceutical composition, and their uses CRH, CRHR1, CRHR2 CRHR1 2/4885TSHR 183/4885MAPT 1666/4885
US-20080194589-A1 Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists CRHR1, CRH, CRHR2 CRHR1 1/4885TSHR 144/4885MAPT 4668/4885
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 CRHR1 15/4885TSHR 109/4885MAPT 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.