SCHEMBL20176617

SCHEMBL20176617

O=c1ccn(-c2ccc(Br)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
FAAH O00519 2/20 0.52
MGLL Q99685 2/20 0.52
CYP2A6 P11509 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
NLRP3 Q96P20 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL636960 0.77 VHL (0.50) KMT2AFAAHMGLLCYP2A6POLB
SCHEMBL11625350 0.76 KMT2A (0.53) KMT2AMGLLCYP2A6GSK3AGSK3B
SCHEMBL10434353 0.76 KMT2A (0.53) KMT2AFAAHMGLLPOLBNPSR1
SCHEMBL78611 0.76 KMT2A (0.53) KMT2AFAAHMGLLPOLBNPSR1
SCHEMBL20649339 0.76 KMT2A (0.59) KMT2AMGLLPOLBHPGDNPSR1
SCHEMBL7319404 0.75 KMT2A (0.52) KMT2AFAAHMGLLGSK3AGSK3B
SCHEMBL7318040 0.73 KMT2A (0.50) KMT2ACYP2A6HSD17B10SMN1; SMN2KDM4E
SCHEMBL10472772 0.71 BCHE (0.52) KMT2APOLBHPGDNPSR1SMN1; SMN2
SCHEMBL7266489 0.71 KMT2A (0.48) KMT2ASMN1; SMN2KDM4E
SCHEMBL20176827 0.71 KMT2A (0.41) KMT2AFAAHMGLLSMN1; SMN2KDM4E

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 1689/4885FAAH 1845/4885MGLL 3019/4885

“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.