SCHEMBL20061544

SCHEMBL20061544

COc1ccc(CNc2ncnc(Cl)c2C(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.59
RPS6KB1 P23443 7/20 0.59
HTT P42858 1/20 0.53
EGFR P00533 2/20 0.51
POLB P06746 1/20 0.51
NR2F2 P24468 1/20 0.51
VNN1 O95497 3/20 0.50
PDE5A O76074 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
THRB P10828 1/20 0.47
LMNA P02545 2/20 0.47
CDK1 P06493 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CCNB2 O95067 1/20 0.46
CCNB1 P14635 1/20 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
SCHEMBL20061415 0.89 HTT (0.54) AURKARPS6KB1HTTEGFRPOLB
SCHEMBL15649308 0.87 MAPT (0.55) AURKARPS6KB1HTTEGFRPOLB
SCHEMBL20061442 0.87 HTT (0.52) AURKARPS6KB1HTTEGFRPOLB
SCHEMBL20081398 0.86 HTT (0.54) AURKARPS6KB1HTTEGFRPOLB
SCHEMBL20061528 0.85 HTT (0.50) AURKARPS6KB1HTTEGFRPOLB
SCHEMBL20061520 0.83 HTT (0.48) AURKARPS6KB1HTTEGFRPOLB
SCHEMBL20061530 0.82 MCHR1 (0.51) AURKARPS6KB1HTTEGFRPOLB
SCHEMBL20081335 0.81 HTT (0.47) AURKARPS6KB1HTTEGFRPOLB
SCHEMBL29634669 0.81 HTT (0.58) AURKARPS6KB1HTTEGFRPOLB
SCHEMBL5233252 0.81 HTT (0.58) AURKARPS6KB1HTTEGFRPOLB

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 4 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
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 AURKA 797/4885RPS6KB1 2270/4885HTT 444/4885

“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.