SCHEMBL2201384

SCHEMBL2201384

CN1CCC(N(C)c2cc(NC(=O)Cc3ccc(-n4cnc5ccccc54)cc3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
NR2E1 Q9Y466 5/20 0.44
MCHR1 Q99705 2/20 0.44
PIK3C3 Q8NEB9 1/20 0.39
ROCK2 O75116 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H4 Q96RI1 2/20 0.38
PPARG P37231 1/20 0.38
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38
ABL1 P00519 2/20 0.38
KIT P10721 1/20 0.38
BCR P11274 1/20 0.38
DDR1 Q08345 1/20 0.38
DDR2 Q16832 1/20 0.38

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
SCHEMBL2201467 0.89 MCHR1 (0.43) KDRNR2E1MCHR1ROCK2
SCHEMBL1408282 0.86 KDR (0.47) KDRAURKAAURKBMCHR1PIK3C3
SCHEMBL2203105 0.85 KDR (0.47) KDRAURKAAURKBNR2E1ROCK2
SCHEMBL2202607 0.83 AURKA (0.50) KDRAURKAAURKBNR2E1MCHR1
SCHEMBL2204785 0.80 MAPT (0.38) NR2E1MCHR1
SCHEMBL2201767 0.80 KDR (0.48) KDRAURKAAURKBPIK3C3ROCK2
SCHEMBL2203664 0.80 NR2E1 (0.43) NR2E1MCHR1
SCHEMBL2202269 0.79 RORC (0.52) KDRAURKAAURKBROCK2NPC1
SCHEMBL2200833 0.79 AURKA (0.52) KDRAURKAAURKBNR2E1NPC1
SCHEMBL1408536 0.78 AURKA (0.74) KDRAURKAAURKBNR2E1NPC1

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.