SCHEMBL5487008

SCHEMBL5487008

O=Cc1cnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
P2RX7 Q99572 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MGLL Q99685 1/20 0.39
ATM Q13315 1/20 0.38
NOTUM Q6P988 1/20 0.38
IDO1 P14902 1/20 0.38
ADAMTS7 Q9UKP4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TERT O14746 1/20 0.37
HTR3E A5X5Y0 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
SCHEMBL23367388 0.83 P2RX7 (0.42) P2RX7NPC1RAB9AALDH1A1MEN1
SCHEMBL11691729 0.81 P2RX7 (0.42) PKMP2RX7NPC1RAB9AALDH1A1
SCHEMBL9814514 0.81 P2RX7 (0.62) PKMP2RX7NPC1RAB9AALDH1A1
SCHEMBL9215564 0.73 MAPK1 (0.36) SMN1; SMN2MEN1KMT2ATERT
SCHEMBL15577228 0.73 PKM (0.56) PKMNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5490040 0.72 PKM (0.44) PKMNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12442424 0.71 P2RX7 (0.42) PKMP2RX7NPC1RAB9AALDH1A1
SCHEMBL11696173 0.71 P2RX7 (0.42) PKMP2RX7NPC1RAB9AALDH1A1
SCHEMBL2895448 0.71 GRM5 (0.45) PKMNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5487652 0.71 PKM (0.47) PKMNPC1RAB9AALDH1A1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists AATRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1720860-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-15 EP disclosed
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-26 US disclosed
WO-2005080379-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 WO disclosed
US-3985765-A ANTIINFLAMMATORY OR ANTIPYRETIC ACTIVITY MILES LABORATORIES, INC. (US) 1976-10-12 US disclosed
US-3948932-A ANTIINFLAMMATORY, ANTIPYRETIC MILES LABORATORIES, INC. (US) 1976-04-06 US disclosed
US-3948929-A ANTIINFLAMMATORY, ANTIPYRETIC MILES LABORATORIES, INC. (US) 1976-04-06 US disclosed
US-3948930-A ANTIINFLAMMATORY, ANTIPYRETIC MILES LABORATORIES, INC. (US) 1976-04-06 US 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 (2 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-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRIN3A, GRM1 PKM 1538/4885P2RX7 32/4885NPC1 1874/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 PKM 990/4885P2RX7 39/4885NPC1 2690/4885

“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.