SCHEMBL4757647

SCHEMBL4757647

CCN(CC)CCNc1ccc(N/C=C2\C(=O)Nc3cc(C(=O)c4cccc(C(N)=O)c4)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA1 Q13131 6/20 0.40
KDR P35968 6/20 0.40
PRKAA2 P54646 4/20 0.40
CHEK1 O14757 4/20 0.39
NTRK1 P04629 2/20 0.38
NTRK2 Q16620 2/20 0.38
PDGFRB P09619 3/20 0.37
FGFR1 P11362 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CSF1R P07333 4/20 0.36
AKT2 P31751 1/20 0.36
DNMT1 P26358 1/20 0.35
DNMT3L Q9UJW3 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.35
PLK4 O00444 1/20 0.35
DCLK1 O15075 1/20 0.35
PDPK1 O15530 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL3579771 0.92 TDP1 (0.48) PRKAA1KDRPRKAA2CHEK1NTRK1
SCHEMBL4757832 0.90 PRKAA1 (0.39) PRKAA1KDRPRKAA2CHEK1NTRK1
SCHEMBL4756943 0.89 PRKAA1 (0.42) PRKAA1KDRPRKAA2CHEK1NTRK1
SCHEMBL4756597 0.88 PRKAA1 (0.38) PRKAA1KDRPRKAA2CHEK1NTRK1
SCHEMBL3575353 0.88 ACHE (0.40) PRKAA1KDRPRKAA2CHEK1NTRK1
SCHEMBL3582267 0.87 FLT3 (0.45) KDRCHEK1CSF1RMAP4K4LCK
SCHEMBL3573599 0.87 IKBKB (0.43) KDRFGFR1SRCFLT3
SCHEMBL3585194 0.83 KDR (0.42) PRKAA1KDRPRKAA2CHEK1FLT3
SCHEMBL3575063 0.82 PLAU (0.41) NTRK1AKT2PDPK1AURKB
SCHEMBL3572820 0.82 AKT2 (0.38) PRKAA1PRKAA2CHEK1NTRK1CSF1R

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
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed

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-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PRKAA1 406/4885KDR 226/4885PRKAA2 447/4885

“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.