SCHEMBL41400

SCHEMBL41400

COc1ccc(Cl)c(-c2ccc3nc(N)ncc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.53
KDR P35968 1/20 0.53
JAK3 P52333 1/20 0.53
MAPK14 Q16539 1/20 0.53
KIT P10721 4/20 0.50
SRC P12931 4/20 0.50
HSP90AA1 P07900 2/20 0.50
HSP90AB1 P08238 2/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPK10 P53779 1/20 0.46
PTK2B Q14289 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
DHFR P00374 2/20 0.45

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
SCHEMBL5494572 0.82 LCK (0.56) LCKKDRJAK3MAPK14KIT
SCHEMBL5491016 0.82 LCK (0.56) LCKKDRJAK3MAPK14KIT
Hydrochloric Acid SCHEMBL28269991 0.80 NCF1 (0.57) LCKKDRJAK3MAPK14KIT
SCHEMBL41115 0.80 LCK (0.53) LCKKDRJAK3MAPK14KIT
SCHEMBL28080193 0.78 LCK (0.54) LCKKDRJAK3MAPK14KIT
SCHEMBL28298101 0.78 LCK (0.69) LCKKDRJAK3MAPK14KIT
SCHEMBL16676911 0.74 FGFR4 (0.66) LCKKDRJAK3MAPK14KIT
SCHEMBL5494305 0.74 LCK (0.56) LCKKDRJAK3MAPK14KIT
SCHEMBL5492624 0.74 LCK (0.59) LCKKDRJAK3MAPK14KIT
SCHEMBL24335917 0.73 LCK (0.58) LCKKDRJAK3MAPK14KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US disclosed
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US disclosed
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US disclosed
EP-2585439-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Fovea Pharmaceuticals (FR) 2013-05-01 EP disclosed
US-8389530-B2 Substituted quinazoline compounds FOVEA PHARMACEUTICALS (FR) 2013-03-05 US disclosed
US-8389530-B2 Substituted quinazoline compounds FOVEA PHARMACEUTICALS (FR) 2013-03-05 US disclosed
US-8389530-B2 Substituted quinazoline compounds FOVEA PHARMACEUTICALS (FR) 2013-03-05 US disclosed
US-20120004210-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS FOVEA PHARMACEUTICALS SA 2012-01-05 US disclosed
US-20120004210-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS FOVEA PHARMACEUTICALS SA 2012-01-05 US disclosed
US-20120004210-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS FOVEA PHARMACEUTICALS SA 2012-01-05 US disclosed
WO-2011161159-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2011-12-29 WO disclosed
WO-2011161159-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2011-12-29 WO disclosed
EP-2381943-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS Fovea Pharmaceuticals (FR) 2011-11-02 EP disclosed
WO-2010076238-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS FOVEA PHARMACEUTICALS SA (FR) 2010-07-08 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-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION CAMK2D, CAMK2A, CAMK2B LCK 244/4885KDR 969/4885JAK3 824/4885
US-20120004210-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS MAP3K5, MAP3K1, MAP3K2 LCK 392/4885KDR 296/4885JAK3 258/4885

“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.