SCHEMBL4891071

SCHEMBL4891071

O=C(CCCCCl)Nc1ccc2c(c1)NC(=O)c1ccc(Cl)cc1N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.56
CASP2 P42575 2/20 0.49
CASP7 P55210 2/20 0.49
CASP6 P55212 2/20 0.49
CASP8 Q14790 2/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
ALOX12 P18054 1/20 0.47
CHEK1 O14757 2/20 0.47
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.45
CASP1 P29466 1/20 0.43
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC8 Q9BY41 3/20 0.41

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
SCHEMBL4888106 0.97 CASP3 (0.60) CASP3CASP2CASP7CASP6CASP8
SCHEMBL4858198 0.80 LRRK2 (0.57) CHEK1PKMRXFP1KDRCES1
SCHEMBL4887273 0.79 CHEK1 (0.59) CASP3CHEK1PDGFRBFLT1KDR
SCHEMBL1290955 0.75 CHEK1 (0.48) KDM4ECHEK1MAPTPKMRXFP1
SCHEMBL4857871 0.71 CHEK1 (0.58) CHEK1KDRCES1
SCHEMBL4857552 0.71 CHEK1 (0.55) CHEK1CES1
SCHEMBL4856162 0.70 CHEK1 (0.65) CHEK1KDRPDGFRACES1
SCHEMBL4853307 0.70 CHEK1 (0.65) CHEK1KDRPDGFRACES1
SCHEMBL4858965 0.70 CHEK1 (0.60) CHEK1KDRCES1
SCHEMBL4850566 0.70 CHEK1 (0.53) KDM4ECHEK1KDRCES1

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
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 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 (2 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CASP3 2802/4885CASP2 2484/4885CASP7 1620/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CASP3 2513/4885CASP2 2212/4885CASP7 1537/4885

“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.