SCHEMBL3055764

SCHEMBL3055764

Nc1c(Cl)ncnc1Nc1ccc(Br)cc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.52
EGFR P00533 5/20 0.52
RET P07949 1/20 0.52
KIF5B P33176 1/20 0.52
DYRK1A Q13627 5/20 0.48
CLK1 P49759 2/20 0.47
DYRK1B Q9Y463 2/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
WDR5 P61964 3/20 0.43
KMT2A Q03164 3/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
EPHB2 P29323 1/20 0.43
FLT4 P35916 1/20 0.43

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
SCHEMBL4275254 0.80 KDR (0.49) KDREGFRRETKIF5BDYRK1A
SCHEMBL16774914 0.80 PTK2 (0.54) KDREGFRWDR5KMT2AFGFR1
SCHEMBL4491507 0.77 EGFR (0.47) KDREGFRRETKIF5BDYRK1A
SCHEMBL1094439 0.75 EGFR (0.49) KDREGFRRETKIF5BDYRK1A
SCHEMBL29544568 0.74 WDR5 (0.74) WDR5KMT2A
SCHEMBL6237775 0.74 EGFR (0.61) EGFR
SCHEMBL4921796 0.74 EGFR (0.51) KDREGFRRETKIF5BDYRK1A
SCHEMBL689999 0.72 EGFR (0.46) KDREGFRRETKIF5BDYRK1A
SCHEMBL27830021 0.72 EGFR (0.65) KDREGFRRETKIF5BDYRK1A
SCHEMBL26245874 0.72 WDR5 (0.53) WDR5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
WO-2005009384-A2 EGFR TYROSINE KINASE INHIBITORS IMCLONE SYSTEMS INCORPORATED (US) 2005-02-03 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDR 4576/4885EGFR 4695/4885RET 3586/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDR 4576/4885EGFR 4695/4885RET 3586/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDR 4576/4885EGFR 4695/4885RET 3586/4885

“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.