SCHEMBL21177355

SCHEMBL21177355

CCOC(=O)c1cc(Cl)n2nc(C)c(Br)c2n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ADORA2A P29274 1/20 0.40
CYP1A2 P05177 1/20 0.40
GSK3B P49841 1/20 0.39
MAPT P10636 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL21189608 0.87 CYP1A2 (0.42) ADORA3ALDH1A1POLBADORA2ACYP1A2
SCHEMBL21177528 0.86 ADORA3 (0.42) ADORA3SMN1; SMN2POLBADORA2ACYP1A2
SCHEMBL20722996 0.82 ALDH1A1 (0.42) ADORA3ALDH1A1SMN1; SMN2POLBRXFP1
SCHEMBL20723167 0.80 CYP1A2 (0.45) ALDH1A1SMN1; SMN2ADORA2ACYP1A2MAPT
SCHEMBL13117291 0.80 GSK3B (0.59) ALDH1A1SMN1; SMN2POLBRXFP1ADORA2A
SCHEMBL20568880 0.76 GSK3B (0.45) ALDH1A1SMN1; SMN2POLBADORA2ACYP1A2
SCHEMBL9679448 0.76 ALDH1A1 (0.48) ADORA3ALDH1A1POLBADORA2ACYP1A2
SCHEMBL21177423 0.75 KDM4E (0.45) ALDH1A1SMN1; SMN2POLBRXFP1ADORA2A
SCHEMBL20568271 0.74 GSK3B (0.44) ALDH1A1SMN1; SMN2POLBADORA2ACYP1A2
SCHEMBL9677615 0.74 ALDH1A1 (0.49) ALDH1A1CYP1A2MAPTGABRA2GABRB2

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 13 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-117069728-A PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2023-11-17 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
CN-111868063-A PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2020-10-30 CN 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 ADORA3 2353/4885ALDH1A1 4847/4885SMN1; SMN2 4317/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA ADORA3 701/4885ALDH1A1 4417/4885SMN1; SMN2 4271/4885
US-20240336618-A1 PI4KIIIBETA INHIBITORS PI4KB, PI4K2B, PI4K2A ADORA3 2195/4885ALDH1A1 4857/4885SMN1; SMN2 4375/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A ADORA3 2195/4885ALDH1A1 4857/4885SMN1; SMN2 4375/4885

“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.