SCHEMBL20061442

SCHEMBL20061442

CNC(=O)c1c(Cl)ncnc1NCc1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
EGFR P00533 2/20 0.50
AURKA O14965 2/20 0.50
RPS6KB1 P23443 2/20 0.50
POLB P06746 1/20 0.50
NR2F2 P24468 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE5A O76074 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
VNN1 O95497 2/20 0.46
THRB P10828 1/20 0.46
CDK1 P06493 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CCNB2 O95067 2/20 0.46
CCNB1 P14635 2/20 0.46

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
SCHEMBL20061528 0.88 HTT (0.50) HTTEGFRAURKARPS6KB1POLB
SCHEMBL20061415 0.88 HTT (0.54) HTTEGFRAURKARPS6KB1POLB
SCHEMBL20061544 0.87 AURKA (0.59) HTTEGFRAURKARPS6KB1POLB
SCHEMBL20061520 0.86 HTT (0.48) HTTEGFRAURKARPS6KB1POLB
SCHEMBL20061530 0.85 MCHR1 (0.51) HTTEGFRAURKARPS6KB1POLB
SCHEMBL20081398 0.85 HTT (0.54) HTTEGFRAURKARPS6KB1POLB
SCHEMBL20081335 0.85 HTT (0.47) HTTEGFRAURKARPS6KB1POLB
SCHEMBL20061527 0.84 NPC1 (0.52) HTTEGFRAURKARPS6KB1POLB
SCHEMBL15649308 0.84 MAPT (0.55) HTTEGFRAURKARPS6KB1POLB
SCHEMBL2064402 0.80 LMNA (0.53) HTTEGFRAURKARPS6KB1POLB

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
CN-107690433-B Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating PI3 kinase-associated diseases comprising the same as active ingredient 韩国化学研究院 2021-04-09 CN disclosed
EP-3312175-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2018-04-25 EP disclosed
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 HTT 444/4885EGFR 2343/4885AURKA 797/4885

“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.