SCHEMBL4093308

SCHEMBL4093308

NC(=O)c1c(N)sc(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 6/20 0.49
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GRM5 P41594 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
IKBKB O14920 2/20 0.42
ADORA1 P30542 2/20 0.41
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40
TP53 P04637 4/20 0.39
MDM2 Q00987 4/20 0.39

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
SCHEMBL6615917 0.89 IKBKB (0.42) GRM6ALDH1A1MAPTGAAMEN1
SCHEMBL1381838 0.80 IKBKB (0.47) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL20665498 0.78 GRM6 (0.62) GRM6ALDH1A1MAPTGAAMEN1
SCHEMBL4099130 0.76 GRM6 (0.74) GRM6ALDH1A1MAPTGAAMEN1
SCHEMBL28740626 0.76 ALDH1A1 (0.44) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL1929543 0.74 GRM6 (0.70) GRM6ALDH1A1MAPTGAAMEN1
SCHEMBL4964950 0.73 ALDH1A1 (0.57) GRM6ALDH1A1MAPTGAAMEN1
SCHEMBL14699088 0.72 ALDH1A1 (0.64) GRM6ALDH1A1MAPTGAAMEN1
SCHEMBL4088595 0.71 GRM6 (0.60) GRM6ALDH1A1MAPTGAALMNA
SCHEMBL10584162 0.71 TP53 (0.52) MAPTMEN1KMT2ATP53MDM2

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-1436279-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-13 EP claimed
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
EP-1436279-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-13 EP disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
CN-1243747-C Heteroaromatic carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2006-03-01 CN 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
CN-1425012-A Heteroaromatic carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2003-06-18 CN 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 2715/4885ALDH1A1 165/4885MAPT 2469/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 GRM6 2742/4885ALDH1A1 35/4885MAPT 2580/4885

“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.