SCHEMBL4848735

SCHEMBL4848735

COc1ccc(Nc2cc(Cl)ccc2C(=O)O)c(N)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.64
AKR1C2 P52895 13/20 0.64
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
PKM P14618 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
LMNA P02545 2/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
GRIK1 P39086 2/20 0.57
HPGD P15428 1/20 0.55
GFER P55789 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
USP2 O75604 1/20 0.52
PABPC1 P11940 1/20 0.52

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
SCHEMBL4855887 0.90 ABL1 (0.57) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL11113166 0.89 AKR1C3 (0.79) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL10872978 0.82 GRIK1 (0.48) AKR1C3AKR1C2MEN1KMT2AGRIK1
SCHEMBL8130645 0.82 MEN1 (0.68) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL10834344 0.81 AKR1C3 (0.84) AKR1C3AKR1C2MEN1KMT2APKM
Hydrochloric Acid SCHEMBL10720962 0.80 GRIK1 (0.46) MEN1KMT2APKMPOLBMAPT
SCHEMBL9558880 0.80 RAPGEF4 (0.46) MEN1KMT2APKMLMNAPOLB
SCHEMBL4858020 0.79 GRIK1 (0.51) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL11603313 0.78 GRIK1 (0.62) AKR1C3AKR1C2MEN1KMT2AGRIK1
SCHEMBL28404353 0.78 AKR1C3 (0.81) AKR1C3AKR1C2MEN1KMT2APKM

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 AKR1C3 2261/4885AKR1C2 1672/4885MEN1 1677/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 AKR1C3 3024/4885AKR1C2 2388/4885MEN1 2238/4885

“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.