SCHEMBL8985193

SCHEMBL8985193

COC(=O)C1CCc2cncn2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.36
RORC P51449 3/20 0.35
IDO1 P14902 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP2 P08253 3/20 0.34
ANPEP P15144 3/20 0.34
TP53 P04637 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL8985190 0.81 NOTUM (0.36) KDM4ERORCMEN1KMT2ACYP11B2
Hydrochloric Acid SCHEMBL8985242 0.80 NOTUM (0.35) KDM4ERORCMEN1KMT2ACYP11B2
SCHEMBL18365975 0.73 CYP11B2 (0.39) CYP11B2
SCHEMBL1702050 0.71 ADRA1A (0.44) KDM4EBRD4SMN1; SMN2MEN1KMT2A
SCHEMBL408207 0.68 ATAD2 (0.36) KDM4EBRD4SMN1; SMN2MEN1KMT2A
SCHEMBL29852659 0.68 LMNA (0.36) KDM4EBRD4SMN1; SMN2MEN1KMT2A
SCHEMBL31132468 0.68 KDM4E (0.38) KDM4EBRD4SMN1; SMN2MEN1KMT2A
SCHEMBL18365979 0.67 CYP19A1 (0.34) IDO1CYP11B2
SCHEMBL791232 0.66 BRD4 (0.46) KDM4EBRD4SMN1; SMN2TP53
SCHEMBL17869779 0.66 CYP11B2 (0.43) KDM4EBRD4SMN1; SMN2MEN1KMT2A

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-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 WO disclosed
US-5547961-A USING TETRAHYDROIMIDAZOPYRIDINE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-08-20 US disclosed
US-5336679-A Treatment of irritable bowel syndrome YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-08-09 US disclosed
EP-0532754-A1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-24 EP 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-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, PINK1 KDM4E 2393/4885BRD4 340/4885RORC 1978/4885

“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.