SCHEMBL4765440

SCHEMBL4765440

CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2c(C(=O)OCC)cnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 6/20 0.35
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ EED O75530 3/20 0.32
▸ SUZ12 Q15022 2/20 0.32
▸ EZH2 Q15910 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ NTRK1 P04629 1/20 0.31

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
SCHEMBL5256233 0.89 OPRD1 (0.30) —
SCHEMBL4763292 0.85 KDM4E (0.40) TGFBR1KDM4EALDH1A1HPGD
SCHEMBL4771399 0.82 TGFBR1 (0.37) TGFBR1
SCHEMBL5258600 0.82 OPRD1 (0.30) —
SCHEMBL4763649 0.81 — —
SCHEMBL4766453 0.81 CYP3A4 (0.32) —
SCHEMBL4767703 0.80 PDE10A (0.32) TGFBR1
SCHEMBL4770139 0.79 — —
SCHEMBL4766211 0.79 — —
SCHEMBL4762402 0.79 ALDH1A1 (0.31) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1880998-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-01-23 — — EP claimed
US-7271170-B2 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION (US) 2007-09-18 — — US claimed
EP-1648899-B1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORP (US) 2007-01-03 — — EP claimed
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 claimed
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
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

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 TGFBR1 746/4885KDM4E 3458/4885ALDH1A1 1135/4885
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS GABRA3, GABRA1, GABBR1 TGFBR1 746/4885KDM4E 3458/4885ALDH1A1 1135/4885

“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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