SCHEMBL22459061

SCHEMBL22459061

C[C@@H](N)n1cnc2c(OC(C)(C)C)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 3/20 0.45
▸ PI4K2B Q8TCG2 3/20 0.45
▸ PI4K2A Q9BTU6 3/20 0.45
▸ PI4KB Q9UBF8 3/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ ADORA2B P29275 2/20 0.45
▸ ADORA1 P30542 2/20 0.45
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ ADA P00813 4/20 0.34
▸ PDE2A O00408 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL22399611 0.83 ADORA2A (0.49) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22399690 0.83 ADORA2A (0.49) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL20857291 0.83 ADORA2A (0.59) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL20857248 0.76 ADORA1 (0.51) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22458547 0.75 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL24205121 0.74 ADORA2A (0.77) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22399292 0.74 ADORA2A (0.53) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL18521145 0.74 ADORA2A (0.77) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21539218 0.73 ADORA2A (0.51) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL24409387 0.73 ADORA2A (0.51) PI4KAPI4K2BPI4K2API4KBADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339188-B2 Compounds for the treatment of cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-05-24 — — US disclosed
US-20200299321-A1 COMPOUNDS FOR THE TREATMENT OF CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-09-24 — — 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 (2 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-20200299321-A1 COMPOUNDS FOR THE TREATMENT OF CANCER TP53, MYC, CDC73 PI4KA 2021/4885PI4K2B 2015/4885PI4K2A 2395/4885
US-11339188-B2 Compounds for the treatment of cancer TP53, MYC, CDC73 PI4KA 2021/4885PI4K2B 2015/4885PI4K2A 2395/4885

“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.

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