SCHEMBL1828556

SCHEMBL1828556

Cc1cn(-c2ccc(N)c(C#N)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL22199020 0.82 CYP11B2 (0.43) NR2E1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL15442444 0.81 NR2E1 (0.49) NR2E1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL9701793 0.80 NR2E1 (0.48) NR2E1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL22199045 0.79 USP30 (0.47) NR2E1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL9699728 0.79 NR2E1 (0.46) NR2E1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL12676199 0.79 USP30 (0.40) NR2E1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL1903855 0.77 GRIA1 (0.42) CYP1A2
SCHEMBL3343040 0.76 NR2E1 (0.48) NR2E1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL1824196 0.75 CYP3A4 (0.46) NR2E1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL15222204 0.75 MAOA (0.50) NR2E1CYP1A2CYP3A4CYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633208-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new MAO inhibitors and imidazoline receptor ligands ROTTAPHARM S.P.A (IT) 2014-01-21 US disclosed
US-8633208-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new MAO inhibitors and imidazoline receptor ligands ROTTAPHARM S.P.A (IT) 2014-01-21 US disclosed
US-8633208-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new MAO inhibitors and imidazoline receptor ligands ROTTAPHARM S.P.A (IT) 2014-01-21 US disclosed
EP-2315588-B1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM SPA (IT) 2012-12-19 EP disclosed
US-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2011-05-19 US disclosed
US-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2011-05-19 US disclosed
US-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2011-05-19 US disclosed
EP-2315588-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS Rottapharm S.p.A. (IT) 2011-05-04 EP disclosed
WO-2009152868-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2009-12-23 WO disclosed
EP-0691967-B1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO LTD (JP) 1998-09-02 EP disclosed
US-5707998-A CYCLIC-GMP PHOSPHODIESTERASE INHIBITORS, TREATING CARDIOVASCULAR DISORDERS AND ASTHMA EISAI CO., LTD. (JP) 1998-01-13 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 (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-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS OPRM1, OPRD1, HTR3C NR2E1 428/4885CYP1A2 46/4885CYP3A4 83/4885

“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.