SCHEMBL3328974

SCHEMBL3328974

O=C(NCC(F)(F)F)Nc1cccc(-c2cnn3cc(-c4cncnc4)cnc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.58
FGFR3 P22607 13/20 0.58
MARK3 P27448 4/20 0.56
SGK1 O00141 1/20 0.47
PIK3CD O00329 1/20 0.47
CHEK1 O14757 1/20 0.47
MAPK13 O15264 1/20 0.47
PDPK1 O15530 1/20 0.47
NUAK1 O60285 1/20 0.47
CCNT1 O60563 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
CHEK2 O96017 1/20 0.47
EGFR P00533 1/20 0.47
RAF1 P04049 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
CSF1R P07333 1/20 0.47
MET P08581 1/20 0.47
HCK P08631 1/20 0.47

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
SCHEMBL3325040 0.92 MARK3 (0.54) KDRFGFR3MARK3SGK1PIK3CD
SCHEMBL13336799 0.91 FGFR3 (0.51) KDRFGFR3MARK3SGK1PIK3CD
Hydrochloric Acid SCHEMBL3352312 0.90 FGFR3 (0.51) KDRFGFR3MARK3SGK1PIK3CD
SCHEMBL3324157 0.90 FGFR3 (0.52) KDRFGFR3MARK3SGK1PIK3CD
SCHEMBL3327376 0.89 FGFR3 (0.58) KDRFGFR3MARK3SGK1PIK3CD
SCHEMBL3323354 0.89 KDR (0.50) KDRFGFR3MARK3SGK1PIK3CD
SCHEMBL3321718 0.88 KDR (0.62) KDRFGFR3MARK3SGK1PIK3CD
SCHEMBL13336754 0.88 MARK3 (0.52) KDRFGFR3MARK3SGK1PIK3CD
SCHEMBL13336818 0.88 MARK3 (0.50) KDRFGFR3MARK3SGK1PIK3CD
Hydrochloric Acid SCHEMBL3323960 0.87 MARK3 (0.51) KDRFGFR3MARK3SGK1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 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-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 KDR 32/4885FGFR3 1/4885MARK3 1002/4885

“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.