SCHEMBL21369234

SCHEMBL21369234

Nc1ncnc2c1c1ccncc1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 2/20 0.58
▸ CDK5R1 Q15078 1/20 0.58
▸ CDK2 P24941 5/20 0.56
▸ CCNA2 P20248 4/20 0.56
▸ CCNA1 P78396 4/20 0.56
▸ CDK1 P06493 2/20 0.56
▸ CCNB1 P14635 1/20 0.56
▸ HSPA8 P11142 4/20 0.54
▸ HSPA5 P11021 2/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ ADK P55263 5/20 0.53
▸ DOT1L Q8TEK3 2/20 0.53
▸ DCLK1 O15075 1/20 0.53
▸ DAPK3 O43293 1/20 0.53
▸ DYRK3 O43781 1/20 0.53
▸ ROS1 P08922 1/20 0.53
▸ RPS6KB1 P23443 1/20 0.53
▸ FLT3 P36888 1/20 0.53
▸ CSNK1A1 P48729 1/20 0.53
▸ CSNK1D P48730 1/20 0.53

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
SCHEMBL21369238 0.88 ADK (0.48) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL21369235 0.85 ADK (0.46) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL21369233 0.85 ADK (0.46) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL23809777 0.85 ADK (0.46) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL21369239 0.85 ADK (0.47) CDK5CDK5R1HSPA8HSPA5ADK
SCHEMBL21369240 0.82 ADK (0.71) CDK2CCNA2CCNA1ADK
SCHEMBL23809696 0.82 ADK (0.71) CDK2CCNA2CCNA1ADK
SCHEMBL21369236 0.82 ADK (0.60) ADK
SCHEMBL21368954 0.81 ADK (0.47) ADK
SCHEMBL21368889 0.80 CDK5 (0.59) CDK5CDK5R1CDK2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765475-B1 SUBSTITUTED PYRIDOPYRROLOPYRIMIDINE RIBONUCLEOSIDES FOR THERAPEUTIC USES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2021-09-15 — — EP claimed
EP-3765475-B1 SUBSTITUTED PYRIDOPYRROLOPYRIMIDINE RIBONUCLEOSIDES FOR THERAPEUTIC USES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2021-09-15 — — EP disclosed
US-20210002321-A1 SUBSTITUTED PYRIDOPYRROLOPYRIMIDINE RIBONUCLEOSIDES FOR THERAPEUTIC USES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2021-01-07 — — US disclosed
WO-2019174657-A1 SUBSTITUTED PYRIDOPYRROLOPYRIMIDINE RIBONUCLEOSIDES FOR THERAPEUTIC USES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2019-09-19 — — 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 (1 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-20210002321-A1 SUBSTITUTED PYRIDOPYRROLOPYRIMIDINE RIBONUCLEOSIDES FOR THERAPEUTIC USES TYMP, DPYD, RRM2 CDK5 2188/4885CDK5R1 1952/4885CDK2 1089/4885

“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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