SCHEMBL10033778

SCHEMBL10033778

[C-]#[N+]c1ccc(-c2cnc(Nc3cc(NCC(=O)c4ccc(C#N)cc4)ccc3Cl)o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 6/20 0.41
FLT4 P35916 6/20 0.41
KDR P35968 6/20 0.41
VCP P55072 2/20 0.35
IMPDH2 P12268 5/20 0.34
DGAT1 O75907 2/20 0.34
ALDH1A1 P00352 2/20 0.33
FAAH O00519 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
AGTR1 P30556 1/20 0.33
CACNA1G O43497 1/20 0.33
CETP P11597 1/20 0.32

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
SCHEMBL2346870 0.93 FLT1 (0.45) FLT1FLT4KDRVCPIMPDH2
SCHEMBL2338367 0.79 ALOX5 (0.47) FLT1FLT4KDRIMPDH2ALDH1A1
SCHEMBL10033776 0.79 ALOX5 (0.47) FLT1FLT4KDRVCPIMPDH2
SCHEMBL2346522 0.67 ALOX5 (0.48) FLT1FLT4KDRVCPIMPDH2
SCHEMBL10033770 0.67 FLT1 (0.42) FLT1FLT4KDRVCPKMT2A
SCHEMBL2339289 0.67 FLT1 (0.50) FLT1FLT4KDRIMPDH2ALDH1A1
SCHEMBL2343197 0.66 ALDH1A1 (0.47) FLT1FLT4KDRVCPIMPDH2
SCHEMBL544048 0.65 MAPK14 (0.46) FLT1FLT4KDRIMPDH2
SCHEMBL11974549 0.65 GSK3B (0.54) ALDH1A1MEN1MAPTKMT2A
SCHEMBL10033772 0.64 DGAT1 (0.44) FLT1FLT4KDRDGAT1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658659-B2 Substituted oxazole derivatives and their use as tyrosine kinase inhibitors AB SCIENCE (FR) 2014-02-25 US disclosed
US-20120108616-A1 SUBSTITUTED OXAZOLE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS AB SCIENCE 2012-05-03 US disclosed
US-20080242704-A1 Substituted Oxazole Derivatives and their Use as Tyrosine Kinase Inhibitors AB SCIENCE 2008-10-02 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 (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-20080242704-A1 Substituted Oxazole Derivatives and their Use as Tyrosine Kinase Inhibitors KIT, TYRO3, LCK FLT1 168/4885FLT4 110/4885KDR 240/4885
US-20120108616-A1 SUBSTITUTED OXAZOLE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS KIT, FLT3, LTK FLT1 7/4885FLT4 6/4885KDR 36/4885

“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.