SCHEMBL13074136

SCHEMBL13074136

CCn1cnc2c(N)[nH]c(=O)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.54
CCNB1 P14635 2/20 0.54
CCNE1 P24864 2/20 0.54
CDK2 P24941 2/20 0.54
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
PNP P00491 3/20 0.41
TK1 P04183 2/20 0.41
BLM P54132 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
EDNRA P25101 1/20 0.40
HTR2A P28223 1/20 0.40
RECQL P46063 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL10076894 0.80 HPRT1 (0.45) PNPBLMUSP2TSHREDNRA
SCHEMBL10005819 0.79 CDK1 (0.47) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL874736 0.78 PNP (0.64) PNPTK1BLMUSP2TSHR
SCHEMBL24879342 0.76 HPRT1 (0.44) PNPBLMUSP2TSHREDNRA
SCHEMBL24772407 0.76 HPRT1 (0.43) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL10992496 0.76 BLM (0.70) PNPTK1BLMUSP2TSHR
SCHEMBL24113799 0.75 CDK1 (0.50) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL18289528 0.75 CDK2 (0.54) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL19491618 0.75 PI4KA (0.47) CDK2PI4KAPI4K2BPI4K2API4KB
SCHEMBL22508271 0.75 CDK1 (0.38) CDK1CCNB1CCNE1CDK2ADORA2A

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-20190258909-A1 Methods of Storing Information Using Nucleic Acids PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-08-22 US disclosed
US-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENE ARREST LTD. (IL) 2010-11-11 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-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLRMT, POLM, SNRPE CDK1 3891/4885CCNB1 2855/4885CCNE1 3451/4885

“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.