SCHEMBL21177412

SCHEMBL21177412

O=C(c1cc(Br)ccc1Cl)N1CCC[C@@H]1CO

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDK2 Q15119 1/20 0.43
TP53 P04637 1/20 0.42
HCRTR1 O43613 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
SLC22A12 Q96S37 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL30514831 1.00 MEN1 (0.53) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL21177415 1.00 MEN1 (0.53) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL21177419 0.85 HPGD (0.50) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL21177416 0.85 HPGD (0.50) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL30514822 0.85 HPGD (0.50) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL30514851 0.81 DRD2 (0.57) MEN1KMT2AALDH1A1HPGDHCRTR1
SCHEMBL21177380 0.81 DRD2 (0.57) MEN1KMT2AALDH1A1HPGDHCRTR1
SCHEMBL21177378 0.81 DRD2 (0.57) MEN1KMT2AALDH1A1HPGDHCRTR1
SCHEMBL4480837 0.81 TP53 (0.60) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL4480840 0.81 TP53 (0.60) MEN1KMT2ARAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336618-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-10-10 US disclosed
CN-111868063-B PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2023-08-01 CN 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-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-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
US-20210387988-A1 PI4KIIIbeta Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-12-16 US disclosed
EP-3740489-A1 PI4KIIIBETA INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-11-25 EP disclosed
WO-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 WO 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 (4 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 MEN1 3572/4885KMT2A 1239/4885RAB9A 758/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA MEN1 4344/4885KMT2A 1679/4885RAB9A 1214/4885
US-20240336618-A1 PI4KIIIBETA INHIBITORS PI4KB, PI4K2B, PI4K2A MEN1 3563/4885KMT2A 1237/4885RAB9A 797/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A MEN1 3563/4885KMT2A 1237/4885RAB9A 797/4885

“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.