SCHEMBL1748981

SCHEMBL1748981

Nc1ccc2nc(-c3ccc4c(c3)OCO4)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
ALDH1A1 P00352 3/20 0.68
MAPT P10636 3/20 0.68
LMNA P02545 2/20 0.68
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
SRC P12931 1/20 0.52
ADORA2A P29274 2/20 0.51
ADORA1 P30542 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
POLB P06746 3/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47

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
SCHEMBL7004578 0.81 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29746267 0.81 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL26613484 0.80 NPC1 (0.63) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1752207 0.78 MAOA (0.60) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25655778 0.78 MEN1 (0.67) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1748704 0.78 MAPT (0.60) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1747935 0.75 RAB9A (0.56) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL727683 0.74 MAOA (1.00) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1747923 0.74 NPC1 (0.55) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4111891 0.73 KDM4E (0.58) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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 10 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
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 KDM4E 2821/4885NPC1 2921/4885RAB9A 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.