SCHEMBL22186341

SCHEMBL22186341

CC(C)Cc1ccnc(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
DAO P14920 1/20 0.39
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.37
GSK3B P49841 1/20 0.36
POLB P06746 2/20 0.36
GPR84 Q9NQS5 2/20 0.35
AAK1 Q2M2I8 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
XDH P47989 1/20 0.33
ELANE P08246 1/20 0.33
IDO1 P14902 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL22487911 0.78
SCHEMBL13327029 0.71 DAO (0.41) PDE3BPDE3ADAOPARP1TSHR
SCHEMBL11929997 0.69 POLB (0.39) PDE3BPDE3ADAOGSK3BPOLB
SCHEMBL17761925 0.68 GPR84 (0.50) PDE3BPDE3ADAOPARP1TSHR
SCHEMBL29903956 0.68 AOC3 (0.47) DAOPOLBMEN1KMT2A
SCHEMBL9963333 0.67
SCHEMBL12927964 0.67 DAO (0.49) DAOPOLBGPR84MEN1KMT2A
SCHEMBL30315297 0.66
SCHEMBL10325788 0.66
SCHEMBL24881442 0.65 PABPC1 (0.47) DAOPARP1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226055-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS, INC. 2023-07-20 US disclosed
US-11590132-B2 Pyruvate kinase activators for use in treating blood disorders AGIOS PHARMACEUTICALS, INC. (US) 2023-02-28 US disclosed
US-20200207785-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) 2020-07-02 US 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 (3 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-20230226055-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS PDK1, PDK2, PDK3 PDE3B 1228/4885PDE3A 1553/4885DAO 2111/4885
US-11590132-B2 Pyruvate kinase activators for use in treating blood disorders PDK1, PDK2, PDK3 PDE3B 1228/4885PDE3A 1553/4885DAO 2111/4885
US-20200207785-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS PDK1, PDK2, PDK3 PDE3B 1255/4885PDE3A 1585/4885DAO 2206/4885

“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.