SCHEMBL4160260

SCHEMBL4160260

CCCc1cc2nc(C)cn2nc1Cn1ccnc1-c1cccc(F)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.34
▸ TGFBR1 P36897 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ DYRK1A Q13627 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
SCHEMBL4166481 0.92 PIK3CA (0.33) BRD4KCNH2PIK3CAPIK3CG
SCHEMBL4162736 0.90 PIK3CA (0.31) BRD4TGFBR1TGFBR2PIK3CAPIK3CG
SCHEMBL4163975 0.90 PDE10A (0.34) KCNH2
SCHEMBL4159684 0.90 KCNH2 (0.30) KCNH2PIK3CAPIK3CG
SCHEMBL4158114 0.89 TGFBR1 (0.32) BRD4TGFBR1
SCHEMBL4160528 0.88 PIM1 (0.33) BRD4TGFBR1TGFBR2
SCHEMBL4169868 0.86 KDM4E (0.43) TGFBR1
SCHEMBL4167302 0.83 TGFBR1 (0.31) TGFBR1TGFBR2
SCHEMBL5886261 0.83 BRD4 (0.34) BRD4KCNH2
SCHEMBL5886442 0.80 KCNH2 (0.36) BRD4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands NEUROGEN CORPORATION (US) 2009-01-22 — — US claimed
EP-1713784-A1 IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-10-25 — — EP claimed
WO-2005080355-A1 IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-09-01 — — WO claimed
US-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands NEUROGEN CORPORATION (US) 2009-01-22 — — US disclosed
US-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands NEUROGEN CORPORATION (US) 2009-01-22 — — US disclosed
US-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands NEUROGEN CORPORATION (US) 2009-01-22 — — US disclosed
EP-1713784-A1 IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-10-25 — — EP disclosed
WO-2005080355-A1 IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-09-01 — — WO disclosed
WO-2005080355-A1 IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-09-01 — — 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-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands GABRA4, GABRA2, GABRA5 BRD4 534/4885TGFBR1 606/4885TGFBR2 821/4885

“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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