SCHEMBL23782842

SCHEMBL23782842

N#Cc1c(C(F)(F)F)c2c([nH]c1=O)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.50
KDM4E B2RXH2 10/20 0.47
ALDH1A1 P00352 10/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 1/20 0.44
HPGD P15428 9/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HSD11B1 P28845 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
GLA P06280 3/20 0.39
GAA P10253 3/20 0.39
TP53 P04637 1/20 0.39
HIF1A Q16665 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 1/20 0.38
KDM5A P29375 1/20 0.38

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
SCHEMBL13568238 0.97 PDE9A (0.47) PDE9AKDM4EALDH1A1SMN1; SMN2ALOX15
SCHEMBL13568239 0.78 HPGD (0.49) KDM4EALDH1A1ALOX15HPGDKMT2A
SCHEMBL16935255 0.76 ALDH1A1 (0.60) PDE9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL23782955 0.76 PDE9A (0.61) PDE9AKDM4EALDH1A1SMN1; SMN2ALOX15
SCHEMBL17351400 0.74 PDE9A (0.70) PDE9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL16935340 0.74 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL9846118 0.72 PDE9A (0.57) PDE9AKDM4EALDH1A1SMN1; SMN2ALOX15
SCHEMBL16935353 0.72 ALDH1A1 (0.56) KDM4EALDH1A1HPGDKMT2AHSD11B1
SCHEMBL17351319 0.69 PDE9A (0.67) PDE9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL26104648 0.69 PDE9A (0.47) PDE9AKDM4EALDH1A1SMN1; SMN2ALOX15

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
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

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 PDE9A 2792/4885KDM4E 1401/4885ALDH1A1 1904/4885

“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.