SCHEMBL5222730

SCHEMBL5222730

c1ccc(-c2noc(-c3cncc(-c4cccnc4)c3)n2)nc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 11/20 0.82
SMN1; SMN2 Q16637 10/20 0.82
PKM P14618 9/20 0.82
RAB9A P51151 9/20 0.82
NPC1 O15118 8/20 0.82
TSHR P16473 5/20 0.82
GRM5 P41594 9/20 0.62
MAPT P10636 6/20 0.62
MITF O75030 1/20 0.62
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.62
HSD17B10 Q99714 3/20 0.62
LMNA P02545 2/20 0.62
KLF5 Q13887 2/20 0.62
HPGD P15428 2/20 0.62
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58
CHRNB2 P17787 1/20 0.56
CHRNA5 P30532 1/20 0.56

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
SCHEMBL4186570 0.92 TP53 (0.74) TP53SMN1; SMN2PKMRAB9ANPC1
SCHEMBL4186502 0.90 SMN1; SMN2 (0.69) TP53SMN1; SMN2PKMRAB9ANPC1
SCHEMBL4185713 0.88 PKM (0.67) TP53SMN1; SMN2PKMRAB9ANPC1
SCHEMBL4197333 0.88 GRM5 (0.74) TP53SMN1; SMN2PKMRAB9ANPC1
SCHEMBL4193000 0.85 GRM5 (0.76) TP53SMN1; SMN2PKMRAB9ANPC1
SCHEMBL4183981 0.84 RAB9A (0.69) TP53SMN1; SMN2PKMRAB9ANPC1
SCHEMBL4179017 0.84 GRM5 (0.71) TP53SMN1; SMN2PKMRAB9ANPC1
SCHEMBL4197874 0.84 GRM5 (0.77) TP53SMN1; SMN2PKMRAB9ANPC1
SCHEMBL5223904 0.84 TP53 (0.61) TP53SMN1; SMN2PKMRAB9ANPC1
Hydrochloric Acid SCHEMBL5227288 0.83 RAB9A (0.67) TP53SMN1; SMN2PKMRAB9ANPC1

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
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-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
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-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 (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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 TP53 4795/4885SMN1; SMN2 1279/4885PKM 2453/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 TP53 4795/4885SMN1; SMN2 1279/4885PKM 2453/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 TP53 4795/4885SMN1; SMN2 1279/4885PKM 2453/4885

“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.