SCHEMBL6085397

SCHEMBL6085397

O=Cc1cnc2cc(F)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ PDGFRB P09619 2/20 0.37
▸ PDGFRA P16234 2/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ HTR2A P28223 4/20 0.34
▸ HTR2C P28335 3/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL12086507 0.79 ALDH1A1 (0.46) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL27870455 0.78 KDM4E (0.46) KDM4EMAPTALDH1A1PDE10ABACE1
SCHEMBL2169969 0.76 CCR1 (0.48) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL97699 0.75 ALDH1A1 (0.47) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL28946507 0.75 APP (0.46) KDM4EMAPTALDH1A1PDGFRBPDGFRA
SCHEMBL1914989 0.74 BACE1 (0.53) KDM4ERAB9AALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL28114264 0.73 ALDH1A1 (0.46) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL28747408 0.73 ALDH1A1 (0.46) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL27991306 0.73 ALDH1A1 (0.46) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL1258593 0.72 ALDH1A1 (0.52) KDM4EMAPTRAB9AALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 — — US disclosed
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 — — EP disclosed
EP-1196397-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMA INC (US) 2005-08-17 — — EP disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 — — US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 — — US disclosed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 — — EP disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 — — 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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 KDM4E 3864/4885MAPT 471/4885RAB9A 1751/4885

“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.

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