SCHEMBL20067906

SCHEMBL20067906

O=C(O)c1nc2ccc(F)cc2cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.49
STAT3 P40763 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
MRGPRX4 Q96LA9 4/20 0.46
PPIA P62937 1/20 0.45
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
CCNA1 P78396 1/20 0.44
LRRK2 Q5S007 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
DHODH Q02127 1/20 0.43

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
SCHEMBL20067905 0.90 SMN1; SMN2 (0.49) PTGER1STAT3HTTSMN1; SMN2LMNA
SCHEMBL20067900 0.88 PLA2G2A (0.49) PTGER1STAT3HTTSMN1; SMN2LMNA
SCHEMBL4703021 0.85 SMN1; SMN2 (0.62) STAT3HTTSMN1; SMN2LMNAMAPT
SCHEMBL8629304 0.85 PTGER1 (0.52) PTGER1STAT3HTTSMN1; SMN2LMNA
SCHEMBL7746386 0.85 STAT3 (0.52) PTGER1STAT3HTTSMN1; SMN2MRGPRX4
SCHEMBL7744003 0.82 HDAC8 (0.57) STAT3HTTSMN1; SMN2MAPTPOLB
SCHEMBL8625477 0.82 MCL1 (0.48) STAT3HTTSMN1; SMN2MRGPRX4NPC1
SCHEMBL8629707 0.81 MCL1 (0.51) STAT3HTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL8628939 0.81 STAT3 (0.42) PTGER1STAT3HTTSMN1; SMN2
SCHEMBL20067901 0.81 LMNA (0.49) PTGER1STAT3HTTSMN1; SMN2LMNA

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 5 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-B1 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 RES INST CHEMICAL TECH (KR) 2020-07-22 EP 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 PTGER1 3820/4885STAT3 24/4885HTT 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.