SCHEMBL17824203

SCHEMBL17824203

CCOc1nc(N)nc2c1NC=[N+]2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 11/20 0.33
CCNB1 P14635 11/20 0.33
CCNA2 P20248 9/20 0.33
CDK2 P24941 9/20 0.33
CCNA1 P78396 9/20 0.33
PIN1 Q13526 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
MGMT P16455 2/20 0.30

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
SCHEMBL7809926 0.84 TSHR (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL1025895 0.82 CCNA2 (0.35) CCNA2CDK2CCNA1
SCHEMBL7799942 0.79 MGMT (0.50) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8886045 0.78 CDK1 (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8883709 0.74 MAPK8 (0.37) LMNAALDH1A1KDM4E
SCHEMBL536868 0.69
SCHEMBL536980 0.69 DPP4 (0.34)
SCHEMBL8884479 0.69
SCHEMBL16828155 0.67 SMN1; SMN2 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL16828217 0.66 SMN1; SMN2 (0.39) CDK1CCNB1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180346505-A1 MONONUCLEOTIDES HAVING A BIOREVERSIBLE DISULFIDE GROUP SOLSTICE BIOLOGICS LTD (IE) 2018-12-06 US disclosed
EP-3229815-A2 MONONUCLEOTIDES HAVING A BIOREVERSIBLE DISULFIDE GROUP Solstice Biologics, Ltd. (IE) 2017-10-18 EP disclosed
WO-2016094677-A2 MONONUCLEOTIDES HAVING A BIOREVERSIBLE DISULFIDE GROUP SOLSTICE BIOLOGICS, LTD. (IE) 2016-06-16 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-20180346505-A1 MONONUCLEOTIDES HAVING A BIOREVERSIBLE DISULFIDE GROUP HCCS, PNP, NT5C3B CDK1 916/4885CCNB1 939/4885CCNA2 288/4885

“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.