SCHEMBL4286809

SCHEMBL4286809

Nc1ccc2nc(-c3ccccc3)ccc2c1.c1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 11/20 0.86
▸ MAOB P27338 11/20 0.86
▸ NPC1 O15118 1/20 0.62
▸ CASP3 P42574 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ SENP8 Q96LD8 1/20 0.62
▸ SENP7 Q9BQF6 1/20 0.62
▸ SENP6 Q9GZR1 1/20 0.62
▸ CYP11B1 P15538 2/20 0.53
▸ CYP11B2 P19099 2/20 0.53
▸ CYP19A1 P11511 2/20 0.53
▸ NCOA3 Q9Y6Q9 1/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ DHODH Q02127 1/20 0.47
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL1903721 0.93 MAOA (1.00) MAOAMAOBNPC1CASP3RAB9A
SCHEMBL27961631 0.83 MAOA (0.82) MAOAMAOBNPC1CASP3RAB9A
SCHEMBL2364827 0.82 MAOA (0.80) MAOAMAOBNPC1CASP3RAB9A
SCHEMBL29746405 0.80 KMT2A (0.62) MAOAMAOBNPC1RAB9AMEN1
SCHEMBL2238517 0.80 KMT2A (0.62) MAOAMAOBNPC1RAB9AMEN1
SCHEMBL729381 0.80 MAOA (1.00) MAOAMAOBNPC1CASP3RAB9A
Hydrochloric Acid SCHEMBL1902132 0.79 MAOA (0.97) MAOAMAOBNPC1CASP3RAB9A
SCHEMBL729793 0.78 MAOA (1.00) MAOAMAOBNPC1CASP3RAB9A
SCHEMBL2356888 0.78 MAOA (0.71) MAOAMAOBNPC1CASP3RAB9A
SCHEMBL1903836 0.77 MAOA (1.00) MAOAMAOBNPC1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066653-B1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM SPA (IT) 2012-09-12 — — EP disclosed
US-8193353-B2 6-1H-imidazo-quinazoline and quinolines derivatives, new potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A (IT) 2012-06-05 — — US disclosed
US-20090264451-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2009-10-22 — — US disclosed
EP-2066653-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS Rottapharm S.p.A. (IT) 2009-06-10 — — EP disclosed
WO-2008014822-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2008-02-07 — — 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-20090264451-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS IL1A, IL6, IL1B MAOA 3094/4885MAOB 3506/4885NPC1 3241/4885

“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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