SCHEMBL23005604

SCHEMBL23005604

O=C(COc1ccc(Br)cc1)Nc1cn(CCc2ccccc2)nc1C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 2/20 0.53
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADORA3 P0DMS8 3/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
ADORA2B P29275 1/20 0.44
SGMS1 Q86VZ5 1/20 0.43

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
SCHEMBL1880366 0.91 MEN1 (0.50) MEN1KMT2APOLBGAAMAPK1
SCHEMBL17023223 0.84 GAA (0.48) MEN1KMT2APOLBGAAMAPK1
SCHEMBL1875570 0.82 KMT2A (0.48) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL21225109 0.81 KMT2A (0.47) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL21224988 0.81 KMT2A (0.47) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL21225118 0.81 KMT2A (0.47) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL1876493 0.75 ADORA3 (0.45) MEN1KMT2AALDH1A1ADORA3ADORA2A
SCHEMBL1876938 0.75 KMT2A (0.48) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL1876346 0.74 KMT2A (0.47) MEN1KMT2APOLBGAATP53
Potassium Ion SCHEMBL29446260 0.73 KMT2A (0.46) MEN1KMT2APOLBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047279-A1 SALT FORMS OF ORGANIC COMPOUND KAINOS MEDICINE INC. (KR) 2021-02-18 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 (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-20210047279-A1 SALT FORMS OF ORGANIC COMPOUND SLC10A6, SLC10A1, SLCO4C1 MEN1 1691/4885KMT2A 2753/4885POLB 2599/4885

“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.