SCHEMBL21189733

SCHEMBL21189733

CCN(CCO)C(=O)c1cc(Br)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
TRPV1 Q8NER1 5/20 0.43
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL10082156 0.89 USP2 (0.57) USP2HPGDL3MBTL1MAPK1TSHR
SCHEMBL21177338 0.84 ALDH1A1 (0.59) USP2HPGDL3MBTL1TRPV1TSHR
SCHEMBL30514841 0.84 ALDH1A1 (0.59) USP2HPGDL3MBTL1TRPV1TSHR
SCHEMBL21177350 0.82 ALDH1A1 (0.44) USP2HPGDSMN1; SMN2KMT2APOLB
SCHEMBL21177436 0.82 USP2 (0.45) USP2L3MBTL1TRPV1TSHRLMNA
SCHEMBL30514825 0.82 USP2 (0.45) USP2L3MBTL1TRPV1TSHRLMNA
SCHEMBL21177392 0.77 ALDH1A1 (0.43) HPGDTSHRKMT2AALDH1A1KDM4E
SCHEMBL2170651 0.76 HPGD (0.57) USP2HPGDL3MBTL1MAPK1TSHR
SCHEMBL21177493 0.74 TRPV1 (0.38) HPGDTRPV1MAPK1TSHRLMNA
SCHEMBL3545870 0.74 ALDH1A1 (0.66) USP2HPGDL3MBTL1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-05-16 US disclosed
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-05-16 US disclosed
US-20230124394-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-20 US disclosed
US-20210387988-A1 PI4KIIIbeta Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-12-16 US disclosed
WO-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 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 (3 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-20230124394-A1 PI4KIIIBETA INHIBITORS PI4KB, PI4K2B, PI4K2A USP2 3670/4885HPGD 4604/4885L3MBTL1 1293/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA USP2 3920/4885HPGD 4357/4885L3MBTL1 2097/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A USP2 3683/4885HPGD 4563/4885L3MBTL1 1300/4885

“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.