SCHEMBL21395232

SCHEMBL21395232

CC(C)(C)OC(=O)Nc1ncc(C(O)c2cncc(Cl)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.43
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
CDK5 Q00535 2/20 0.40
PYGL P06737 1/20 0.39
FFAR2 O15552 5/20 0.38
LCK P06239 3/20 0.38
ATR Q13535 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SCD O00767 1/20 0.36
S1PR3 Q99500 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36

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
SCHEMBL21394890 0.87 S1PR3 (0.46) P2RY2CCNE1CDK2CDK5PYGL
SCHEMBL29358752 0.87 S1PR3 (0.46) P2RY2CCNE1CDK2CDK5PYGL
SCHEMBL21394886 0.86 P2RY2 (0.53) P2RY2CCNE1CDK2CDK5FFAR2
SCHEMBL21395055 0.86 PSEN1 (0.42) P2RY2CCNE1CDK2CDK5FFAR2
SCHEMBL21384069 0.83 PYGL (0.43) P2RY2CCNE1CDK2CDK5PYGL
SCHEMBL21395247 0.81 PSEN1 (0.48) P2RY2CCNE1CDK2CDK5LCK
SCHEMBL21394896 0.81 P2RY2 (0.42) P2RY2CCNE1CDK2CDK5FFAR2
SCHEMBL34467551 0.81 P2RY2 (0.42) P2RY2CCNE1CDK2CDK5FFAR2
SCHEMBL21394898 0.78 SCD (0.45) P2RY2CCNE1CDK2CDK5LCK
SCHEMBL21395300 0.78 PSEN1 (0.45) P2RY2CCNE1CDK2CDK5LCK

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-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 P2RY2 2029/4885CCNE1 2527/4885CDK2 1627/4885

“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.