Sugi Predict

Sugi Predict / Compounds / SCHEMBL4192161

SCHEMBL4192161

SCHEMBL4192161

COc1cc(C#N)nc(-c2noc(-c3ccc(Cl)cn3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ CASP3 P42574 3/20 0.43
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ PKM P14618 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GRM5 P41594 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ S1PR1 P21453 2/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4192739 0.83 CASP3 (0.45) NPC1RAB9ASMN1; SMN2CASP3MAPT
SCHEMBL4193239 0.81 GRM5 (0.47) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4193003 0.79 GRM5 (0.56) NPC1RAB9ASMN1; SMN2CASP3MAPT
SCHEMBL4179227 0.70 GRM5 (0.50) NPC1RAB9ACASP3GRM5KCNH2
SCHEMBL4189694 0.70 CHRNB2 (0.56) NPC1SMN1; SMN2CASP3MAPTGRM5
SCHEMBL4185552 0.69 GRM5 (0.54) NPC1RAB9ASMN1; SMN2CASP3GRM5
SCHEMBL4193164 0.68 GRM5 (0.63) NPC1RAB9ASMN1; SMN2CASP3MAPT
SCHEMBL4186533 0.68 GRM5 (0.69) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4190955 0.68 GRM5 (0.65) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4192531 0.68 GRM5 (0.68) CASP3GRM5KCNH2

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 19 patents. 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
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 — — WO claimed
US-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 — — EP disclosed
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 — — EP disclosed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 — — US disclosed
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 — — US disclosed
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 — — EP disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 — — US disclosed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 — — WO disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 — — EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 — — 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
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 — — 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 (5 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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 NPC1 941/4885RAB9A 1813/4885SMN1; SMN2 1279/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 NPC1 463/4885RAB9A 3862/4885SMN1; SMN2 2639/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 NPC1 941/4885RAB9A 1813/4885SMN1; SMN2 1279/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 NPC1 1385/4885RAB9A 2078/4885SMN1; SMN2 3124/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 NPC1 941/4885RAB9A 1813/4885SMN1; SMN2 1279/4885

“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.