SCHEMBL1748372

SCHEMBL1748372

Nc1ccc2nc(-c3ccc4c(c3)CCO4)ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.52
MAPT P10636 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
NPC1 O15118 3/20 0.43
PI4K2A Q9BTU6 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PLAU P00749 1/20 0.40
ERN1 O75460 2/20 0.40
PRKCI P41743 1/20 0.40
PLA2G10 O15496 1/20 0.39
EGFR P00533 2/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL26674957 0.90 DYRK1A (0.52) DYRK1AMAPTRAB9ASMN1; SMN2MAOA
SCHEMBL1749128 0.86 MAOA (0.60) MAPTRAB9ASMN1; SMN2MAOAMAOB
SCHEMBL1752207 0.81 MAOA (0.60) DYRK1AMAPTRAB9ASMN1; SMN2MAOA
SCHEMBL1749129 0.80 CYP1A2 (0.48) DYRK1AMAPTRAB9ASMN1; SMN2MAOA
SCHEMBL1748776 0.78 MAOA (0.42) DYRK1AMAPTRAB9ASMN1; SMN2MAOA
SCHEMBL2241668 0.77 MAOA (0.79) MAOAMAOB
Hydrochloric Acid SCHEMBL1748935 0.77 MAOA (0.42) DYRK1AMAPTRAB9ASMN1; SMN2MAOA
Hydrochloric Acid SCHEMBL1747914 0.76 MAOA (0.41) DYRK1AMAPTRAB9ASMN1; SMN2MAOA
SCHEMBL26674977 0.73 CYP1A2 (0.48) DYRK1AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL379230 0.72 PRKCI (0.56) DYRK1AMAPTRAB9ASMN1; SMN2NPC1

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-7968558-B2 Amidine derivatives of 2-heteroaryl-quinazolines and quinolines; potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A. (IT) 2011-06-28 US disclosed
US-7968558-B2 Amidine derivatives of 2-heteroaryl-quinazolines and quinolines; potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A. (IT) 2011-06-28 US disclosed
US-7968558-B2 Amidine derivatives of 2-heteroaryl-quinazolines and quinolines; potent analgesics and anti-inflammatory agents ROTTAPHARM S.P.A. (IT) 2011-06-28 US disclosed
EP-2057148-B1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM SPA (IT) 2009-12-30 EP disclosed
EP-2057148-B1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM SPA (IT) 2009-12-30 EP disclosed
US-20090227609-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2009-09-10 US disclosed
US-20090227609-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2009-09-10 US disclosed
US-20090227609-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2009-09-10 US disclosed
EP-2057148-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS Rottapharm S.p.A. (IT) 2009-05-13 EP disclosed
WO-2008014815-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2008-02-07 WO disclosed
WO-2008014815-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; 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-20090227609-A1 AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS NOS2, NOS3, NOS1 DYRK1A 2570/4885MAPT 3130/4885RAB9A 1615/4885

“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.