SCHEMBL3209666

SCHEMBL3209666

Cn1cnc2c(OCc3ccccc3)nc(N)nc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.60
MGMT P16455 6/20 0.53
MPO P05164 3/20 0.53
CYP3A4 P08684 2/20 0.53
TPO P07202 1/20 0.53
EPX P11678 1/20 0.53
CCNB1 P14635 3/20 0.49
CDK2 P24941 3/20 0.49
CCNA2 P20248 2/20 0.49
CCNA1 P78396 2/20 0.49
ATP4A P20648 2/20 0.47
ATP4B P51164 2/20 0.47
DAPK1 P53355 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL17450122 0.84 DAPK1 (0.47) CDK1MGMTMPOCYP3A4TPO
SCHEMBL4869642 0.82 MGMT (0.62) CDK1MGMTMPOCYP3A4TPO
SCHEMBL26226179 0.82 CDK1 (0.55) CDK1MGMTMPOCYP3A4TPO
SCHEMBL12959071 0.81 MGMT (0.53) CDK1MGMTMPOCYP3A4TPO
SCHEMBL26211037 0.80 CDK1 (0.47) CDK1MGMTMPOCYP3A4TPO
SCHEMBL12522765 0.80 CDK1 (0.50) CDK1CCNB1CDK2CYP2C19CCNE1
SCHEMBL8896045 0.79 MGMT (0.52) CDK1MGMTMPOCYP3A4TPO
SCHEMBL2153643 0.79 MGMT (0.54) CDK1MGMTMPOCYP3A4TPO
SCHEMBL8008235 0.78 CDK1 (0.62) CDK1MPOCYP3A4CCNB1CDK2
SCHEMBL8898522 0.78 MGMT (0.53) CDK1MGMTMPOCYP3A4TPO

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-8211899-B2 Artificial nucleic acid bases and their use in base pairing natural nucleic acid bases INTER-UNIVERSITY RESEARCH INSTITUTE CORPORATION NATIONAL INSTITUTE OF NATURAL SCIENCES (JP) 2012-07-03 US disclosed
US-20100036108-A1 Universal Base KATAOKA, MASANORI (JP) 2010-02-11 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 (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-20100036108-A1 Universal Base NSUN2, TRMT1, TARBP1 CDK1 2669/4885MGMT 678/4885MPO 3589/4885

“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.