SCHEMBL20061280

SCHEMBL20061280

Cc1ccc2nc(C(C)C)n(Cc3ccccn3)c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
DHFR P00374 2/20 0.44
BRD4 O60885 3/20 0.44
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.44
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
ALOX5AP P20292 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
NOX4 Q9NPH5 1/20 0.41

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
SCHEMBL20067787 0.88 KDM4E (0.46) KDM4EALDH1A1BRD4ALOX5APGRIN1
SCHEMBL22238068 0.86 KDM4E (0.48) KDM4EALDH1A1HPGDDHFRBRD4
SCHEMBL20061352 0.79 KDM4E (0.45) KDM4EALDH1A1ALOX5APGRIN1GRIN2B
SCHEMBL28581202 0.79 KDM4E (0.45) KDM4EALDH1A1ALOX5APGRIN1GRIN2B
SCHEMBL10085523 0.77 SMN1; SMN2 (0.42) ALDH1A1DHFR
SCHEMBL20081329 0.74 POLB (0.51) KDM4EALDH1A1HPGDHSD17B10GRIN1
SCHEMBL28569796 0.74 KDM4E (0.40) KDM4EALDH1A1PTGDR2GRIN1GRIN2B
SCHEMBL28569794 0.74 KDM4E (0.40) KDM4EALDH1A1PTGDR2GRIN1GRIN2B
SCHEMBL20061286 0.73 POLB (0.54) ALDH1A1
SCHEMBL20061354 0.71 SCN9A (0.41) KDM4EALDH1A1

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-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 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-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT WEE2, WEE1, ITK KDM4E 3174/4885ALDH1A1 3247/4885HPGD 3269/4885

“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.