SCHEMBL4756597

SCHEMBL4756597

CCN(CC)CCCc1ccc(N/C=C2\C(=O)Nc3cc(C(=O)c4cccc(C(N)=O)c4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAA1 Q13131 8/20 0.38
PRKAA2 P54646 7/20 0.35
KDR P35968 5/20 0.35
CHEK1 O14757 3/20 0.35
AKT2 P31751 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CSF1R P07333 1/20 0.34
PARP1 P09874 1/20 0.34
PDPK1 O15530 1/20 0.33
FLT3 P36888 1/20 0.33
AURKB Q96GD4 1/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33

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
SCHEMBL4757832 0.95 PRKAA1 (0.39) PRKAA1PRKAA2KDRCHEK1AKT2
SCHEMBL3575353 0.90 ACHE (0.40) PRKAA1PRKAA2KDRCHEK1AKT2
SCHEMBL3573599 0.89 IKBKB (0.43) KDRFLT3
SCHEMBL4757647 0.88 PRKAA1 (0.40) PRKAA1PRKAA2KDRCHEK1AKT2
SCHEMBL3572820 0.88 AKT2 (0.38) PRKAA1PRKAA2CHEK1AKT2CSF1R
SCHEMBL4756943 0.87 PRKAA1 (0.42) PRKAA1PRKAA2KDRCHEK1CSF1R
SCHEMBL3579771 0.87 TDP1 (0.48) PRKAA1PRKAA2KDRCHEK1AKT2
SCHEMBL3582267 0.86 FLT3 (0.45) KDRCHEK1CSF1RFLT3AURKB
SCHEMBL3578097 0.86 AKT2 (0.39) AKT2PDPK1FLT3AURKBNTRK1
SCHEMBL3575063 0.85 PLAU (0.41) AKT2PDPK1AURKBNTRK1

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 406/4885PRKAA2 447/4885KDR 226/4885

“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.