SCHEMBL4918500

SCHEMBL4918500

CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncnc1C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL4771762 0.86 NOS2 (0.36) BRD4
SCHEMBL5783490 0.86 PDE10A (0.33) BRD4
SCHEMBL4764107 0.84 ALDH1A1 (0.33) BRD4
SCHEMBL5779109 0.83 MAP4K4 (0.35) —
SCHEMBL5782870 0.82 PDE6D (0.32) —
SCHEMBL5780371 0.82 — —
SCHEMBL5227829 0.81 GRIN1 (0.32) GRIN1GRIN2BTGFBR1TGFBR2BRD4
SCHEMBL14166272 0.79 — —
SCHEMBL4766360 0.78 — —
SCHEMBL4160273 0.78 TGFBR1 (0.33) GRIN1GRIN2BTGFBR1TGFBR2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-06-12 — — US disclosed
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-06-12 — — US disclosed
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-06-12 — — US disclosed
EP-1880998-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-01-23 — — EP disclosed
US-7271170-B2 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION (US) 2007-09-18 — — US disclosed
US-7271170-B2 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION (US) 2007-09-18 — — US disclosed
US-7271170-B2 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION (US) 2007-09-18 — — US disclosed
EP-1648899-B1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORP (US) 2007-01-03 — — EP disclosed
EP-1648899-B1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORP (US) 2007-01-03 — — EP disclosed
EP-1648899-A2 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-04-26 — — EP disclosed
US-20050038043-A1 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-02-17 — — US disclosed
WO-2005012306-A2 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-10 — — 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 (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-20050038043-A1 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands GABRA3, GABRA1, GABBR1 GRIN1 45/4885GRIN2B 86/4885TGFBR1 746/4885
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS GABRA3, GABRA1, GABBR1 GRIN1 45/4885GRIN2B 86/4885TGFBR1 746/4885

“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.

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