SCHEMBL20944692

SCHEMBL20944692

COc1cc(Br)c(C(=O)N[C@@H]2CCCN(C(=O)O)C2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SIGMAR1 Q99720 2/20 0.42

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
SCHEMBL20944694 1.00 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL20944530 0.93 KDM4E (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL20944532 0.93 KDM4E (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL24163448 0.83 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL20944746 0.81 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL20944758 0.81 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL20944749 0.81 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL21834930 0.80 MAPK1 (0.58) MEN1KMT2A
SCHEMBL20944673 0.78 KMT2A (0.58) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL1579576 0.76 GAA (0.48) ALDH1A1MEN1KMT2AKDM4EDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399979-B2 Janus kinase inhibitors and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-03 US disclosed
US-20190127377-A1 JANUS KINASE INHIBITORS AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2019-05-02 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-20190127377-A1 JANUS KINASE INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 ALDH1A1 2307/4885MEN1 4238/4885KMT2A 967/4885
US-10399979-B2 Janus kinase inhibitors and uses thereof JAK2, JAK1, JAK3 ALDH1A1 2307/4885MEN1 4238/4885KMT2A 967/4885

“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.