SCHEMBL2203105

SCHEMBL2203105

CN1CCC(Oc2cc(NC(=O)Cc3ccc(-n4cnc5ccccc54)cc3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
CSF1R P07333 2/20 0.47
NEK2 P51955 6/20 0.45
PLK1 P53350 4/20 0.45
BRAF P15056 3/20 0.45
INSR P06213 1/20 0.45
LCK P06239 1/20 0.45
LYN P07948 1/20 0.45
HCK P08631 1/20 0.45
SRC P12931 1/20 0.45
NR2E1 Q9Y466 3/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
HSF1 Q00613 1/20 0.43
ROCK2 O75116 1/20 0.41
MET P08581 1/20 0.40

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
SCHEMBL2200252 0.89 MAPT (0.46) KDRCSF1RNEK2PLK1BRAF
SCHEMBL2202269 0.85 RORC (0.52) KDRAURKAAURKBNEK2PLK1
SCHEMBL2201384 0.85 KDR (0.47) KDRAURKAAURKBNR2E1ROCK2
SCHEMBL2202608 0.80 CSF1R (0.45) KDRCSF1RNEK2PLK1BRAF
SCHEMBL2201594 0.80 BRAF (0.43) KDRCSF1RNEK2PLK1BRAF
SCHEMBL1408282 0.79 KDR (0.47) KDRAURKAAURKBNEK2PLK1
SCHEMBL2201767 0.79 KDR (0.48) KDRAURKAAURKBLCKROCK2
SCHEMBL1408536 0.78 AURKA (0.74) KDRAURKAAURKBNR2E1
SCHEMBL2202246 0.78 AURKA (0.49) KDRAURKAAURKBCSF1RNR2E1
SCHEMBL2200833 0.77 AURKA (0.52) KDRAURKAAURKBNR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977338-B2 Phenylacetamides being FLT3 inhibitors NOVARTIS AG (CH) 2011-07-12 US claimed
US-20100075980-A1 Phenylacetamides being FLT3 Inhibitors NOVARTIS AG (CH) 2010-03-25 US claimed
US-7977338-B2 Phenylacetamides being FLT3 inhibitors NOVARTIS AG (CH) 2011-07-12 US disclosed
US-20100075980-A1 Phenylacetamides being FLT3 Inhibitors NOVARTIS AG (CH) 2010-03-25 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-20100075980-A1 Phenylacetamides being FLT3 Inhibitors FLT3, JAK2, ABL1 KDR 110/4885AURKA 148/4885AURKB 214/4885

“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.