SCHEMBL21858853

SCHEMBL21858853

CCn1nccc1-c1sccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
HPGD P15428 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASP3 P42574 1/20 0.33
SLC13A5 Q86YT5 1/20 0.32
ADRA1A P35348 1/20 0.32
ALK Q9UM73 1/20 0.32
GRM2 Q14416 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31

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
SCHEMBL21858860 0.78 ALDH1A1 (0.41) MEN1ALDH1A1KMT2AMAPTRXFP1
SCHEMBL12681304 0.71 CCNK (0.43) MEN1ALDH1A1KMT2ACCNKCDK12
SCHEMBL2053669 0.71 CCNK (0.38) MEN1ALDH1A1KMT2ACCNKCDK12
SCHEMBL2049844 0.70 KDM4E (0.46) MEN1ALDH1A1KMT2ACCNKCDK12
SCHEMBL12681327 0.67 CCNK (0.39) MEN1ALDH1A1KMT2ACCNKCDK12
SCHEMBL24526832 0.67
SCHEMBL20547561 0.66 CCNK (0.39) MEN1ALDH1A1KMT2ACCNKCDK12
SCHEMBL770898 0.65 POLB (0.44) MEN1KMT2AMAPTRXFP1POLB
SCHEMBL17066883 0.65 ALK (0.50) MEN1ALDH1A1KMT2ACCNKCDK12
SCHEMBL28766747 0.65 KMT2A (0.37) MEN1ALDH1A1KMT2ACCNKCDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210387964-A1 HETEROARYLAMINOQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2021-12-16 US disclosed
CN-112888682-A Heteroaryl aminoquinolines and analogs 拜耳公司 2021-06-01 CN disclosed
WO-2020079167-A1 HETEROARYLAMINOQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-23 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-20210387964-A1 HETEROARYLAMINOQUINOLINES AND ANALOGUES PIK3C3, ERG28, CBR3 MEN1 2984/4885ALDH1A1 2522/4885KMT2A 867/4885

“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.