SCHEMBL1752263

SCHEMBL1752263

CC(=N)Nc1ccc2nc(-c3ccc4c(c3)CCO4)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 4/20 0.43
DYRK1A Q13627 3/20 0.43
PIR O00625 3/20 0.41
HSF1 Q00613 3/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ERN1 O75460 2/20 0.38
BRAF P15056 1/20 0.37
PLA2G10 O15496 1/20 0.37
NTRK1 P04629 1/20 0.37
FLT3 P36888 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37

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
SCHEMBL1748031 0.94 PIR (0.48) RAB9ANPC1SMN1; SMN2MAPTDYRK1A
SCHEMBL1747935 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTDYRK1A
SCHEMBL1748776 0.83 MAOA (0.42) RAB9ANPC1SMN1; SMN2MAPTDYRK1A
Hydrochloric Acid SCHEMBL1747923 0.82 NPC1 (0.55) RAB9ANPC1SMN1; SMN2MAPTDYRK1A
Hydrochloric Acid SCHEMBL1748935 0.82 MAOA (0.42) RAB9ANPC1SMN1; SMN2MAPTDYRK1A
Hydrochloric Acid SCHEMBL1747914 0.81 MAOA (0.41) RAB9ANPC1SMN1; SMN2MAPTDYRK1A
SCHEMBL1747910 0.77 PIR (0.44) RAB9ANPC1SMN1; SMN2MAPTDYRK1A
SCHEMBL3208421 0.76 ABL1 (0.41) RAB9ANPC1MAPTKDM4EMAOA
SCHEMBL3194359 0.75 MAOA (0.47) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL3191748 0.75 CNR1 (0.47) RAB9ANPC1SMN1; SMN2MAPTKDM4E

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 8 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
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 RAB9A 1615/4885NPC1 2921/4885SMN1; SMN2 2064/4885

“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.