SCHEMBL1678685

SCHEMBL1678685

COc1ccc(CSc2nc(-c3ccc(N=O)cc3)c3ncn(C)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.39
CTSB P07858 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DAO P14920 1/20 0.36
SLC29A1 Q99808 2/20 0.36
CKS1B P61024 1/20 0.36
SKP2 Q13309 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARD Q03181 1/20 0.35
PTGES O14684 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL98711 0.85 SLC29A1 (0.53) HPGDSLC29A1MEN1KMT2AMAPK1
SCHEMBL97721 0.81 CCNE2 (0.41) CCNE2CCNE1CDK2DCUN1D1CTSB
SCHEMBL98663 0.81 RET (0.46) CCNE2CCNE1CDK2DCUN1D1CTSB
SCHEMBL98156 0.81 MET (0.43) CCNE2CCNE1CDK2DCUN1D1CTSB
SCHEMBL98438 0.77 ADORA2A (0.56) CCNE2CCNE1CDK2HPGDRAB9A
SCHEMBL99180 0.77 CCNE2 (0.41) CCNE2CCNE1CDK2DCUN1D1CTSB
SCHEMBL97584 0.76 CCNE2 (0.46) CCNE2CCNE1CDK2CTSBHPGD
SCHEMBL98749 0.76 CCNE2 (0.54) CCNE2CCNE1CDK2CTSBHPGD
SCHEMBL97934 0.76 CCNE2 (0.46) CCNE2CCNE1CDK2CTSBHPGD
SCHEMBL96477 0.76 BRD4 (0.41) CCNE2CCNE1CDK2HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 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-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME PNP, TYMP, DPYD CCNE2 3736/4885CCNE1 1574/4885CDK2 1086/4885

“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.