SCHEMBL12377460

SCHEMBL12377460

COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 3/20 0.43
CUL4A Q13619 2/20 0.43
MAPK10 P53779 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PLA2G2A P14555 1/20 0.38
ADORA1 P30542 3/20 0.37
ADORA2A P29274 2/20 0.37
EGFR P00533 3/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 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
SCHEMBL1539813 0.79 MAPT (0.64) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL1778210 0.72 KDM4E (0.58) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL1539836 0.70 MAPT (0.64) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL16296036 0.70 KDM4E (0.56) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL6706788 0.69 PTPN1 (0.51) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL1539819 0.68 ALDH1A1 (0.64) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL1539779 0.68 MAPT (0.64) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL23885417 0.67 NSD2 (0.48) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL25229990 0.67 NSD2 (0.61) MAPTALDH1A1KDM4EHSD17B10MEN1
SCHEMBL30254651 0.67 NSD2 (0.48) MAPTALDH1A1KDM4EALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989625-B2 Thienopyridines MERCK PATENT GMBH (DE) 2011-08-02 US disclosed
US-7989625-B2 Thienopyridines MERCK PATENT GMBH (DE) 2011-08-02 US disclosed
US-20100048558-A1 THIENOPYRIDINES MERCK PATENT GESELLSCHAFT (DE) 2010-02-25 US disclosed
US-20100048558-A1 THIENOPYRIDINES MERCK PATENT GESELLSCHAFT (DE) 2010-02-25 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 (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-20100048558-A1 THIENOPYRIDINES HSP90AB2P, HSP90AB1, HSP90AA1 MAPT 2005/4885ALDH1A1 505/4885KDM4E 2584/4885

“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.