SCHEMBL22925543

SCHEMBL22925543

c1ncc(-c2ccc(C3CC3)cn2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.40
PTK2 Q05397 1/20 0.38
RORC P51449 1/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
NOTUM Q6P988 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MAP4K4 O95819 1/20 0.36
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KEAP1 Q14145 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL22925984 0.77 NOTUM (0.56) PTK2NOTUMGAALMNAPKM
SCHEMBL30753615 0.75 MAP4K4 (0.47) ROCK2PTK2CYP4F2CYP4A11NOTUM
SCHEMBL3388292 0.75 MAP4K4 (0.47) ROCK2PTK2CYP4F2CYP4A11NOTUM
SCHEMBL22925544 0.72 PDE2A (0.33) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL29620936 0.72 PDE2A (0.33) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL9284896 0.72 LMNA (0.58) ROCK2PTK2CYP4F2CYP4A11NOTUM
SCHEMBL6612464 0.72 GAA (0.58) ROCK2PTK2CYP4F2CYP4A11NOTUM
SCHEMBL17193258 0.72 NOTUM (0.58) ROCK2PTK2CYP4F2CYP4A11NOTUM
SCHEMBL22925607 0.72 ROCK2 (0.43) ROCK2PTK2CYP4F2CYP4A11NOTUM
SCHEMBL29620980 0.72 NOTUM (0.58) ROCK2PTK2CYP4F2CYP4A11NOTUM

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
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 US disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 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-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB ROCK2 882/4885PTK2 239/4885RORC 3167/4885

“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.