SCHEMBL4771464

SCHEMBL4771464

CCc1c(Cn2ccnc2-c2cc(F)ccc2OC)ncn2ncnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.36
▸ MC4R P32245 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CDK9 P50750 4/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ SLC2A1 P11166 1/20 0.30
▸ SLC2A2 P11168 1/20 0.30
▸ SLC2A3 P11169 1/20 0.30
▸ CCNT1 O60563 3/20 0.30
▸ SYK P43405 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
SCHEMBL4767927 0.89 GABRG2 (0.31) GABRG2GABRB3GABRA5
SCHEMBL4768051 0.89 GABRG2 (0.30) GABRG2GABRB3GABRA5
SCHEMBL8297778 0.87 GABRG2 (0.30) GABRG2GABRB3GABRA5
SCHEMBL4773275 0.81 KDR (0.35) KDM4EMAPTALDH1A1LMNA
SCHEMBL4769819 0.77 P2RX7 (0.34) MC4RGABRG2GABRB3GABRA5LMNA
SCHEMBL4762459 0.76 — —
SCHEMBL4769591 0.74 KDM4E (0.32) KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL4764022 0.74 AKT1 (0.30) KDM4EALDH1A1
SCHEMBL4763666 0.74 MAPT (0.33) MAPT
SCHEMBL4768146 0.72 — —

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 KCNH2 586/4885MC4R 727/4885KDM4E 3458/4885
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS GABRA3, GABRA1, GABBR1 KCNH2 586/4885MC4R 727/4885KDM4E 3458/4885

“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.

Send feedback