SCHEMBL4189983

SCHEMBL4189983

N#Cc1cccc(-c2nc(-c3ncc(C(F)(F)F)cc3Cl)co2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
GRM5 P41594 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
ENPP1 P22413 1/20 0.39
NOTUM Q6P988 1/20 0.39
TRPA1 O75762 1/20 0.39
ATR Q13535 1/20 0.38
ADORA2A P29274 1/20 0.38
GAA P10253 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 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
SCHEMBL4199955 0.82 CHRNB2 (0.53) SMN1; SMN2NPC1RAB9AMAPK1RXFP1
SCHEMBL4200005 0.74 GRM5 (0.49) GRM5NOTUMATRCHRNB2CHRNA5
SCHEMBL4181878 0.73 GRM5 (0.54) GRM5NOTUMATRCHRNB2CHRNA5
SCHEMBL14395184 0.73 MRGPRX4 (0.42) SMN1; SMN2NPC1RAB9AMAPK1RXFP1
SCHEMBL4186182 0.72 GRM5 (0.58) GRM5NOTUMCHRNB2CHRNA5CHRNA4
SCHEMBL4187029 0.70 GRM5 (0.72) GRM5NOTUMCHRNB2CHRNA5CHRNA4
SCHEMBL28492062 0.69 ATR (0.54) SMN1; SMN2NPC1RAB9AMAPK1RXFP1
SCHEMBL18224026 0.69 CLK4 (0.63) KDM4EGRM5TRPA1IDO1SYK
SCHEMBL28492902 0.69 NPC1 (0.54) SMN1; SMN2NPC1RAB9AMAPK1RXFP1
SCHEMBL18005249 0.68 CTSS (0.44) NPC1RAB9AMAPK1KDM4EGRM5

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 US claimed
EP-1896011-A1 NEW USE AstraZeneca AB (SE) 2008-03-12 EP claimed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US claimed
WO-2007001973-A1 NEW USE ASTRAZENECA AB (SE) 2007-01-04 WO claimed
EP-1210344-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2005-10-19 EP claimed
EP-1582519-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2005-10-05 EP claimed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 WO claimed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US claimed
EP-1210344-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-06-05 EP claimed
WO-2001012627-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2001-02-22 WO claimed
US-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1896011-A1 NEW USE AstraZeneca AB (SE) 2008-03-12 EP disclosed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US disclosed
WO-2007001973-A1 NEW USE ASTRAZENECA AB (SE) 2007-01-04 WO disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
CN-1379775-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2002-11-13 CN disclosed
EP-1210344-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-06-05 EP disclosed
WO-2001012627-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2001-02-22 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 (3 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-20090054491-A1 Use FABP6, SLC10A2, GPR119 SMN1; SMN2 2639/4885NPC1 463/4885RAB9A 3862/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 SMN1; SMN2 1279/4885NPC1 941/4885RAB9A 1813/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 SMN1; SMN2 3124/4885NPC1 1385/4885RAB9A 2078/4885

“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.