SCHEMBL4756943

SCHEMBL4756943

CCN(CC)CCNC(=O)Cc1ccc(N/C=C2\C(=O)Nc3cc(C(=O)c4cccc(C(N)=O)c4)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKAA1 Q13131 10/20 0.42
CHEK1 O14757 4/20 0.40
PRKAA2 P54646 9/20 0.39
KDR P35968 7/20 0.39
PDGFRB P09619 2/20 0.38
FGFR1 P11362 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
FLT3 P36888 1/20 0.37
CSF1R P07333 2/20 0.37
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
EGFR P00533 1/20 0.36
KIT P10721 1/20 0.36
NEK2 P51955 1/20 0.36
MELK Q14680 1/20 0.36

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 0.90 TDP1 (0.48) PRKAA1CHEK1PRKAA2KDRPDGFRB
SCHEMBL4757647 0.89 PRKAA1 (0.40) PRKAA1CHEK1PRKAA2KDRPDGFRB
SCHEMBL4757832 0.89 PRKAA1 (0.39) PRKAA1CHEK1PRKAA2KDRPDGFRB
SCHEMBL4756597 0.87 PRKAA1 (0.38) PRKAA1CHEK1PRKAA2KDRFLT3
SCHEMBL3575353 0.87 ACHE (0.40) PRKAA1CHEK1PRKAA2KDRFLT3
SCHEMBL3582267 0.83 FLT3 (0.45) CHEK1KDRFLT3CSF1R
SCHEMBL3573599 0.83 IKBKB (0.43) KDRFGFR1FLT3
SCHEMBL3575063 0.82 PLAU (0.41) NTRK1
SCHEMBL3572820 0.82 AKT2 (0.38) PRKAA1CHEK1PRKAA2FLT3CSF1R
SCHEMBL3581709 0.81 AKT2 (0.40) NTRK1

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 406/4885CHEK1 161/4885PRKAA2 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.