SCHEMBL6842595

SCHEMBL6842595

CSc1nccc(-c2ncsc2Br)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DYRK3 O43781 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
MAPK14 Q16539 5/20 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
SCHEMBL6839968 0.78 KDM4E (0.44) LMNAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL6839924 0.76 LMNA (0.46) LMNAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL17005541 0.74 LMNA (0.44) LMNAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL6260027 0.74 KDM4E (0.52) LMNAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL23602753 0.72 LMNA (0.51) LMNAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL26643728 0.72 LMNA (0.44) LMNAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL5817322 0.72 MAPK14 (0.52) LMNAKDM4EALDH1A1L3MBTL1POLB
SCHEMBL2197193 0.71 LMNA (0.50) LMNAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL4487034 0.70 MEN1 (0.51) LMNAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL5813449 0.70 KDM4E (0.41) LMNAKDM4EALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181066-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2004-09-16 US disclosed
WO-2003011838-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-13 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-20040181066-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 LMNA 3751/4885KDM4E 2200/4885ALDH1A1 3104/4885

“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.