SCHEMBL22889889

SCHEMBL22889889

COC(=O)c1ncc(C#N)nc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 1/20 0.39
POLQ O75417 1/20 0.37
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
APP P05067 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL29643875 0.87 NPSR1 (0.42) NPSR1GAAALDH1A1HPGDCYP1A2
SCHEMBL22889893 0.87 NPSR1 (0.42) NPSR1GAAALDH1A1HPGDCYP1A2
SCHEMBL22889700 0.81 APP (0.35) HPGDKDM4EPOLQKMT2AAPP
SCHEMBL19743833 0.81 KDM4E (0.46) NPSR1GAAALDH1A1HPGDKDM4E
SCHEMBL361753 0.78 NPSR1 (0.47) NPSR1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL29844624 0.78 NPSR1 (0.47) NPSR1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL22439849 0.76 NPSR1 (0.48) NPSR1GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL17277634 0.75 CYP1A2 (0.37) NPSR1ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL22439846 0.75 NPSR1 (0.47) NPSR1GAAALDH1A1HPGDKDM4E
SCHEMBL22439886 0.75 NPSR1 (0.47) NPSR1ALDH1A1HPGDKDM4EKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 US disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 US disclosed
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 EP disclosed
CN-114450274-A Indazoles and azaindazoles as LRRK2 inhibitors 伊斯凯普生物公司 2022-05-06 CN disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 WO disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 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 (2 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-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 NPSR1 4124/4885GAA 1028/4885ALDH1A1 1904/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 NPSR1 4124/4885GAA 1028/4885ALDH1A1 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.