SCHEMBL2201620

SCHEMBL2201620

O=C1OC(c2ccccc2)c2c(Br)cncc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.38
SLC6A3 Q01959 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CA2 P00918 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP19A1 P11511 3/20 0.35
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL2200309 0.77 IDO1 (0.34) ALDH1A1KMT2AMEN1MAPTCA2
SCHEMBL2200306 0.77 IDO1 (0.34) ALDH1A1KMT2AMEN1MAPTCA2
SCHEMBL6920110 0.73 AKT1 (0.41)
SCHEMBL16108205 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL2202836 0.71 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL16108413 0.69 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL4194357 0.68 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL1057155 0.65 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL2473572 0.65 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL247073 0.65 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2AMEN1GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
WO-2007109596-A2 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2007-09-27 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-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors REN, JAK2, ABL1 ALDH1A1 2295/4885KDM4E 443/4885KMT2A 442/4885
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS REN, JAK2, ABL1 ALDH1A1 2295/4885KDM4E 443/4885KMT2A 442/4885

“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.