SCHEMBL21459294

SCHEMBL21459294

CC(C)n1ncc2c(N)nc(N)nc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ KMT2A Q03164 1/20 0.40
▸ PIK3CA P42336 2/20 0.38
▸ MTOR P42345 2/20 0.38
▸ RICTOR Q6R327 2/20 0.38
▸ RPTOR Q8N122 2/20 0.38
▸ MAPKAP1 Q9BPZ7 2/20 0.38
▸ MLST8 Q9BVC4 2/20 0.38
▸ PDE9A O76083 12/20 0.37
▸ PDE1C Q14123 1/20 0.36
▸ PI4KA P42356 1/20 0.36
▸ PI4K2B Q8TCG2 1/20 0.36
▸ PI4K2A Q9BTU6 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ SLC2A1 P11166 1/20 0.35

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
SCHEMBL29399563 1.00 CDK1 (0.44) CDK1CCNB1CCNE1CDK2KDM4E
SCHEMBL24500614 0.84 KDM4E (0.42) KDM4EKMT2APDE9APDE1CPI4KA
SCHEMBL31403622 0.83 ADORA2A (0.46) KDM4EKMT2APDE9APDE1C
SCHEMBL24500179 0.83 KDM4E (0.41) CDK1KDM4EKMT2APDE9APDE1C
SCHEMBL31403538 0.83 KDM4E (0.41) CDK1CCNB1CCNE1CDK2KDM4E
SCHEMBL30096023 0.82 MTOR (0.41) CDK1CCNB1CCNE1CDK2KDM4E
SCHEMBL30382424 0.80 KDM4E (0.40) CDK1KDM4EKMT2APDE9APDE1C
Hydrochloric Acid SCHEMBL29389071 0.79 KDM4E (0.39) KDM4EKMT2APDE9APDE1C
SCHEMBL130702 0.76 PI4KA (0.56) CDK1CCNB1CCNE1CDK2KDM4E
SCHEMBL12206789 0.75 PI4KB (0.61) KDM4EKMT2APIK3CAMTORPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 — — US disclosed
EP-4234565-A2 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 ATEA Pharmaceuticals, Inc. (US) 2023-08-30 — — EP disclosed
US-11731973-B2 Substituted pyrazolo[3,4-d]pyrimidines as mTOR inhibitors GALDERMA RESEARCH & DEVELOPMENT (FR) 2023-08-22 — — US disclosed
US-11512087-B2 BRK inhibitory compound ONO PHARMACEUTICAL CO., LTD. (JP) 2022-11-29 — — US disclosed
US-20200317679-A1 NOVEL MTOR INHIBITOR COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-10-08 — — US disclosed
US-20190315756-A1 BRK INHIBITORY COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2019-10-17 — — US 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 (5 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-20190315756-A1 BRK INHIBITORY COMPOUND BRI3BP, BLK, BRSK2 CDK1 639/4885CCNB1 1367/4885CCNE1 1615/4885
US-20200317679-A1 NOVEL MTOR INHIBITOR COMPOUNDS MTOR, RICTOR, RPTOR CDK1 148/4885CCNB1 1505/4885CCNE1 1377/4885
US-11512087-B2 BRK inhibitory compound BRI3BP, BLK, BRSK2 CDK1 639/4885CCNB1 1367/4885CCNE1 1615/4885
US-11731973-B2 Substituted pyrazolo[3,4-d]pyrimidines as mTOR inhibitors MTOR, RICTOR, RPTOR CDK1 187/4885CCNB1 1770/4885CCNE1 1499/4885
US-11813278-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP CDK1 1126/4885CCNB1 3082/4885CCNE1 3249/4885

“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.

Send feedback