SCHEMBL20910941

SCHEMBL20910941

CN(C)Nc1cc(N)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 2/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ SCN9A Q15858 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CA2 P00918 1/20 0.36
▸ CHKA P35790 1/20 0.36
▸ ASIC3 Q9UHC3 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL1911881 0.76 — —
SCHEMBL29741837 0.76 — —
Trimethylammonium SCHEMBL27685780 0.74 CA2 (0.46) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL18469869 0.71 — —
SCHEMBL19679369 0.71 CDK5 (0.41) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL17591565 0.71 JAK2 (0.43) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL10188164 0.71 EGFR (0.49) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL30579411 0.71 JAK2 (0.43) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL30781995 0.71 SCN9A (0.50) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL31639080 0.69 MAP4K4 (0.44) CDK5CDK1CCNB1CCNA2CCNE1

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-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2020-07-14 — — US disclosed
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-04-18 — — 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-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP CDK5 1186/4885CDK1 345/4885CCNB1 229/4885
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP CDK5 1186/4885CDK1 345/4885CCNB1 229/4885

“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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