SCHEMBL21177413

SCHEMBL21177413

COc1ccc(Br)cc1C(=O)N1CCC(C)(O)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD2 P14416 1/20 0.41
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL21177543 0.83 SMN1; SMN2 (0.44) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL10711348 0.82 HTT (0.56) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL17502635 0.80 KMT2A (0.65) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL21177182 0.79 POLB (0.39) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL21189595 0.76 KMT2A (0.64) KMT2AGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL21189571 0.73 DRD2 (0.47) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL30514816 0.73 DRD2 (0.47) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL30514833 0.73 DRD2 (0.47) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL21813217 0.72 L3MBTL3 (0.52) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL21177456 0.72 POLB (0.58) KMT2AMEN1GAAALDH1A1KDM4E

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 KMT2A 1239/4885MEN1 3572/4885GAA 2516/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA KMT2A 1679/4885MEN1 4344/4885GAA 3342/4885
US-20240336618-A1 PI4KIIIBETA INHIBITORS PI4KB, PI4K2B, PI4K2A KMT2A 1237/4885MEN1 3563/4885GAA 2490/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A KMT2A 1237/4885MEN1 3563/4885GAA 2490/4885

“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.