Sugi Predict

Sugi Predict / Compounds / SCHEMBL4197856

SCHEMBL4197856

SCHEMBL4197856

Brc1cncc(-c2noc(-c3ccccn3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 8/20 0.61
▸ TP53 P04637 9/20 0.59
▸ RAB9A P51151 8/20 0.59
▸ PKM P14618 8/20 0.59
▸ SMN1; SMN2 Q16637 8/20 0.59
▸ NPC1 O15118 8/20 0.59
▸ TSHR P16473 4/20 0.59
▸ ALDH1A1 P00352 4/20 0.56
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 5/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KLF5 Q13887 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51

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
SCHEMBL4179017 0.90 GRM5 (0.71) GRM5TP53RAB9APKMSMN1; SMN2
SCHEMBL4186502 0.83 SMN1; SMN2 (0.69) GRM5TP53RAB9APKMSMN1; SMN2
SCHEMBL5959970 0.80 SMN1; SMN2 (0.78) TP53RAB9APKMSMN1; SMN2NPC1
SCHEMBL2121006 0.79 CYP2A6 (0.56) GRM5TP53RAB9APKMSMN1; SMN2
SCHEMBL4183981 0.77 RAB9A (0.69) GRM5TP53RAB9APKMSMN1; SMN2
SCHEMBL1422895 0.77 CHRNB2 (0.73) TP53RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL4186570 0.77 TP53 (0.74) GRM5TP53RAB9APKMSMN1; SMN2
SCHEMBL4197874 0.77 GRM5 (0.77) GRM5TP53RAB9APKMSMN1; SMN2
Hydrochloric Acid SCHEMBL5227288 0.76 RAB9A (0.67) GRM5TP53RAB9APKMSMN1; SMN2
SCHEMBL4197929 0.76 GRM5 (1.00) GRM5TP53RAB9APKMSMN1; SMN2

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 23 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
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-1896011-A1 NEW USE AstraZeneca AB (SE) 2008-03-12 — — EP 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
CN-1332959-C Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2007-08-22 — — CN 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
CN-1649865-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2005-08-03 — — CN 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 (4 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 GRM5 8/4885TP53 4795/4885RAB9A 1813/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 GRM5 582/4885TP53 4856/4885RAB9A 3862/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885TP53 4795/4885RAB9A 1813/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 GRM5 1/4885TP53 4884/4885RAB9A 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.