SCHEMBL23783045

SCHEMBL23783045

N#Cc1cnc2c(c1C(F)F)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
NSD2 O96028 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA3 P34903 2/20 0.32
KDM4E B2RXH2 4/20 0.31
HTT P42858 3/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL15573324 0.78 MAPK1 (0.35) SMN1; SMN2MAPK1CYP2C9KDM4EHTT
SCHEMBL23782902 0.75 SMN1; SMN2 (0.39) SMN1; SMN2NSD2MAPK1CYP2C9KDM5A
SCHEMBL29740409 0.75 SMN1; SMN2 (0.39) SMN1; SMN2NSD2MAPK1CYP2C9KDM5A
SCHEMBL23782933 0.75 CYP11B2 (0.33) MAPK1CYP2C9KDM5AKDM5BKDM4E
SCHEMBL29741142 0.75 CYP11B2 (0.33) MAPK1CYP2C9KDM5AKDM5BKDM4E
SCHEMBL23782824 0.73 AR (0.39) SMN1; SMN2NSD2MAPK1CYP2C9KDM5A
SCHEMBL29740364 0.73 AR (0.39) SMN1; SMN2NSD2MAPK1CYP2C9KDM5A
SCHEMBL29741085 0.73 CYP11B1 (0.37)
SCHEMBL23782732 0.73 CYP11B1 (0.37)
SCHEMBL22890487 0.72 KDM4E (0.39) SMN1; SMN2NSD2MAPK1CYP2C9KDM4E

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
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO 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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 SMN1; SMN2 476/4885NSD2 1225/4885MAPK1 650/4885

“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.