SCHEMBL20176827

SCHEMBL20176827

O=c1ccn(-c2ccc(Br)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM1A O60341 2/20 0.33
KCNH2 Q12809 2/20 0.33
KDM1B Q8NB78 1/20 0.33
ESRRA P11474 1/20 0.32
KIF11 P52732 1/20 0.32
MGLL Q99685 2/20 0.31
FAAH O00519 1/20 0.31
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL9592373 0.82 KMT2A (0.44) KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL5097812 0.71 F10 (0.40)
SCHEMBL20176617 0.71 KMT2A (0.53) KMT2AKDM4ESMN1; SMN2MGLLFAAH
SCHEMBL27135900 0.70 CRBN (0.51) KMT2ASMN1; SMN2KDM1AKCNH2KDM1B
SCHEMBL17893587 0.68 KMT2A (0.41) KMT2AKDM4EKDM1AKCNH2KDM1B
SCHEMBL27380911 0.68 NPC1 (0.38) KDM1AKCNH2KDM1B
SCHEMBL8291690 0.67 KMT2A (0.44) KMT2AKDM4ESMN1; SMN2MGLLFAAH
SCHEMBL20176820 0.67 NPC1 (0.41) KMT2ASMN1; SMN2
SCHEMBL30450132 0.66 ALDH1A1 (0.49) KMT2AKDM4ESMN1; SMN2
SCHEMBL21434861 0.66 HTT (0.50) SMN1; SMN2ESRRAMAPT

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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 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 (1 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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 KMT2A 1689/4885KDM4E 2267/4885SMN1; SMN2 2581/4885

“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.