SCHEMBL25214552

SCHEMBL25214552

CCc1ccc(-n2ncnc2CNC(=O)OC(C)(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GFER P55789 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
PCSK9 Q8NBP7 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
SCHEMBL25239803 0.87 STK17B (0.42) CA1CA2CA9CA12KDM4E
SCHEMBL25218981 0.85 SMO (0.43) CA1CA2CA9CA12KDM4E
SCHEMBL25270165 0.82 GFER (0.41) CA1CA2CA9CA12KDM4E
SCHEMBL25213983 0.81 GFER (0.39) CA1CA2CA9CA12KDM4E
SCHEMBL25409784 0.78 KDM4A (0.43) KDM4ELMNAGFERL3MBTL1HSD17B10
SCHEMBL25254440 0.77 POLB (0.41) CA1CA2CA9CA12KDM4E
SCHEMBL23976369 0.76 GFER (0.46) KDM4ELMNAGFERL3MBTL1HSD17B10
SCHEMBL29418114 0.76 LMNA (0.39) KDM4ELMNAGFERL3MBTL1HSD17B10
SCHEMBL25242692 0.76 LMNA (0.39) KDM4ELMNAGFERL3MBTL1HSD17B10
SCHEMBL25241006 0.75 L3MBTL1 (0.41) KDM4ELMNAGFERL3MBTL1HSD17B10

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-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-09-07 US disclosed
US-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-09-07 US disclosed
US-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-09-07 US disclosed
EP-4188542-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS Global Blood Therapeutics, Inc. (US) 2023-06-07 EP disclosed
WO-2022031735-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-10 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-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS PKM, PDK1, PDK2 CA1 4793/4885CA2 3161/4885CA9 4547/4885

“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.