SCHEMBL20944673

SCHEMBL20944673

COc1cc(Br)c(C(=O)NC2CCN(C)CC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
ALDH1A1 P00352 3/20 0.56
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
HTR4 Q13639 3/20 0.47
LRRK2 Q5S007 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HPGD P15428 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL24163448 0.86 ALDH1A1 (0.74) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL20944749 0.85 ALDH1A1 (0.76) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL20944758 0.85 ALDH1A1 (0.76) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL20944746 0.85 ALDH1A1 (0.76) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL20944530 0.83 KDM4E (0.51) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL20944532 0.83 KDM4E (0.51) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL20944523 0.82 MEN1 (0.51) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL14748357 0.79 KMT2A (0.52) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL16294450 0.78 KMT2A (0.64) KMT2AMEN1LCKDRD3
SCHEMBL20944694 0.78 ALDH1A1 (0.52) KMT2AKDM4EMEN1MAPTALDH1A1

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 KMT2A 967/4885KDM4E 1108/4885MEN1 4238/4885
US-10399979-B2 Janus kinase inhibitors and uses thereof JAK2, JAK1, JAK3 KMT2A 967/4885KDM4E 1108/4885MEN1 4238/4885

“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.