SCHEMBL20067907

SCHEMBL20067907

C[C@H](N)c1nc2ccc(F)cc2cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
STAT3 P40763 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
KDM1A O60341 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
DCPS Q96C86 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LTA4H P09960 1/20 0.39
MAPK14 Q16539 1/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL28563970 1.00 HTT (0.49) HTTSMN1; SMN2MAPTSTAT3LMNA
SCHEMBL28581318 0.83 STAT3 (0.43) HTTSMN1; SMN2MAPTSTAT3LMNA
SCHEMBL28581322 0.83 STAT3 (0.43) HTTSMN1; SMN2MAPTSTAT3LMNA
SCHEMBL28572006 0.79 LMNA (0.41) HTTSMN1; SMN2MAPTSTAT3LMNA
SCHEMBL28572005 0.79 LMNA (0.41) HTTSMN1; SMN2MAPTSTAT3LMNA
SCHEMBL20067904 0.79 LMNA (0.41) HTTSMN1; SMN2MAPTSTAT3LMNA
SCHEMBL20067901 0.76 LMNA (0.49) HTTSMN1; SMN2MAPTSTAT3LMNA
SCHEMBL20067905 0.76 SMN1; SMN2 (0.49) HTTSMN1; SMN2MAPTSTAT3LMNA
SCHEMBL20067902 0.75 SMN1; SMN2 (0.48) HTTSMN1; SMN2MAPTSTAT3LMNA
SCHEMBL20067906 0.75 PTGER1 (0.49) HTTSMN1; SMN2MAPTSTAT3LMNA

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 444/4885SMN1; SMN2 3155/4885MAPT 3610/4885

“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.