SCHEMBL1748533

SCHEMBL1748533

CC(=N)Nc1ccc2nc(-c3ccc4c(c3)OCCO4)ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.54
MAOB P27338 3/20 0.54
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 5/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PRMT7 Q9NVM4 1/20 0.41
KDM1A O60341 1/20 0.41
HSF1 Q00613 2/20 0.40
PIR O00625 1/20 0.40
BRAF P15056 1/20 0.40
LMNA P02545 1/20 0.40
RHOA P61586 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL1747918 0.93 MAOA (0.54) MAOAMAOBCYP1A2CYP2C19MAPT
SCHEMBL1748776 0.88 MAOA (0.42) MAOAMAOBMAPTRAB9ASMN1; SMN2
SCHEMBL1747929 0.88 MAOA (0.42) MAOAMAOBMAPTRAB9ATP53
Hydrochloric Acid SCHEMBL1748935 0.87 MAOA (0.42) MAOAMAOBMAPTRAB9ASMN1; SMN2
SCHEMBL1747910 0.86 PIR (0.44) MAOAMAOBMAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1747914 0.86 MAOA (0.41) MAOAMAOBMAPTRAB9ASMN1; SMN2
SCHEMBL1747962 0.85 MAOA (0.39) MAOAMAOBCYP1A2RAB9ANPC1
SCHEMBL3196775 0.80 MEN1 (0.40) MAOAMAOBCYP1A2CYP2C19MAPT
SCHEMBL3201640 0.80 FGFR4 (0.41) MAOAMAOBCYP1A2CYP2C19MAPT
SCHEMBL3191800 0.80 MAOA (0.50) MAOAMAOBCYP1A2CYP2C19NPSR1

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-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
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 MAOA 455/4885MAOB 414/4885CYP1A2 28/4885

“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.