SCHEMBL4854740

SCHEMBL4854740

COC(=O)c1ccc(Cl)cc1Nc1ccc(N)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.60
GAA P10253 4/20 0.50
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
PYGL P06737 1/20 0.43
HTT P42858 1/20 0.42
NR4A2 P43354 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL4856651 0.89 ABL1 (0.60) ABL1GAAMAPTMAPK1ALDH1A1
SCHEMBL1290704 0.88 KDM4E (0.60) ABL1GAAMAPTMAPK1ALDH1A1
SCHEMBL4855887 0.87 ABL1 (0.57) ABL1GAAMAPTALDH1A1HPGD
SCHEMBL4855385 0.86 ABL1 (0.56) ABL1GAAMAPTALDH1A1HPGD
SCHEMBL4853821 0.85 ABL1 (0.61) ABL1GAAMAPTALDH1A1HPGD
SCHEMBL10872978 0.85 GRIK1 (0.48) GAAALDH1A1KDM4EHSD17B10CASP1
SCHEMBL4857143 0.84 ABL1 (0.53) ABL1GAAMAPTALDH1A1HPGD
SCHEMBL4848677 0.83 MAPT (0.54) ABL1GAAMAPTMAPK1ALDH1A1
SCHEMBL4852723 0.83 ABL1 (0.52) ABL1GAAMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL10720962 0.82 GRIK1 (0.46) GAAMAPTALDH1A1KDM4EHSD17B10

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 6 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
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO 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 ABL1 45/4885GAA 2002/4885MAPT 4057/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ABL1 32/4885GAA 1745/4885MAPT 3753/4885

“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.