SCHEMBL4088595

SCHEMBL4088595

N#Cc1c(N)sc(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.60
ADORA1 P30542 8/20 0.39
ADORA2A P29274 7/20 0.39
ALDH1A1 P00352 8/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 3/20 0.38
MET P08581 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 2/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL20665497 0.77 GRM6 (0.68) GRM6ADORA1ADORA2AALDH1A1GAA
SCHEMBL10710844 0.76 GRM6 (1.00) GRM6ADORA1ADORA2AALDH1A1GAA
SCHEMBL10713084 0.72 GRM6 (0.65) GRM6ADORA1ADORA2AALDH1A1GAA
SCHEMBL4093308 0.71 GRM6 (0.49) GRM6ADORA1ALDH1A1GAAKDM4E
SCHEMBL1798608 0.66 ALDH1A1 (0.64) GRM6ADORA1ADORA2AALDH1A1KDM4E
SCHEMBL24749451 0.65 KDM4E (0.56) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL17545812 0.65 ALDH1A1 (0.40) ADORA1ADORA2AALDH1A1GAAKDM4E
SCHEMBL27967295 0.65 ALDH1A1 (0.41) ADORA1ADORA2AALDH1A1GAAKDM4E
SCHEMBL25991784 0.64 ALDH1A1 (0.47) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL8309390 0.64 ALDH1A1 (0.42) GRM6ADORA1ADORA2AALDH1A1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 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 (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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT GRM6 2715/4885ADORA1 155/4885ADORA2A 184/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 GRM6 2742/4885ADORA1 108/4885ADORA2A 462/4885

“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.