SCHEMBL3211889

SCHEMBL3211889

NC(=O)Sc1nn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[nH]c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 4/20 0.49
CDK1 P06493 2/20 0.49
CDK2 P24941 2/20 0.49
DOT1L Q8TEK3 1/20 0.49
DCLK1 O15075 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 1/20 0.49
ROS1 P08922 1/20 0.49
RPS6KB1 P23443 1/20 0.49
FLT3 P36888 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
CLK2 P49760 1/20 0.49
IRAK1 P51617 1/20 0.49
CDK5 Q00535 1/20 0.49
DYRK1A Q13627 1/20 0.49
MELK Q14680 1/20 0.49
NTRK3 Q16288 1/20 0.49
HIPK4 Q8NE63 1/20 0.49
SLK Q9H2G2 1/20 0.49

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
SCHEMBL6910965 0.86 ADK (0.58) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL6910971 0.86 ADK (0.58) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL11840649 0.83 ADK (0.68) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL3490107 0.83 ATG7 (0.52) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL6910977 0.82 ADK (0.65) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL6910983 0.82 ADK (0.65) ADKCDK1CDK2DOT1LDCLK1
Hydrochloric Acid SCHEMBL31238488 0.82 ADK (0.52) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL7213421 0.76 ALDH1A1 (0.57) ADKDOT1LLMNASMN1; SMN2ALDH1A1
SCHEMBL6912039 0.73 ALDH1A1 (0.55) ADKDOT1LLMNASMN1; SMN2ALDH1A1
SCHEMBL6912032 0.73 ALDH1A1 (0.55) ADKDOT1LLMNASMN1; SMN2ALDH1A1

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
US-20100087388-A1 ODCASE INHIBITORS AS ANTI-VIRALS AND ANTIBIOTICS KOTRA LAKSHMI P 2010-04-08 US disclosed
US-20100056468-A1 Pyrimidine Derivatives As Anticancer Agents UNIVERSITY HEALTH NETWORK (CA) 2010-03-04 US disclosed
WO-2008083465-A1 PYRIMIDINE DERIVATIVES AS ANTICANCER AGENTS UNIVERSITY HEALTH NETWORK (CA) 2008-07-17 WO disclosed
WO-2007038860-A2 ODCASE INHIBITORS AS ANTI-VIRALS AND ANTIBIOTICS UNIVERSITY HEALTH NETWORK (CA) 2007-04-12 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 (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-20100056468-A1 Pyrimidine Derivatives As Anticancer Agents DPYD, TYMP, TYMS ADK 1394/4885CDK1 352/4885CDK2 105/4885
US-20100087388-A1 ODCASE INHIBITORS AS ANTI-VIRALS AND ANTIBIOTICS ITPA, DUT, MAOA ADK 624/4885CDK1 460/4885CDK2 1071/4885

“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.