SCHEMBL22175658

SCHEMBL22175658

CCOC(=O)c1cnc(-n2c(C)ccc2C)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.55
DBF4 Q9UBU7 2/20 0.55
OGA O60502 2/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 2/20 0.48
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TP53 P04637 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
RECQL P46063 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
PARP1 P09874 1/20 0.39
TNK2 Q07912 1/20 0.39
TNK1 Q13470 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL23794756 0.79 CDC7 (0.54) CDC7DBF4OGAHPGDHTT
SCHEMBL21671992 0.77 OGA (0.45) CDC7DBF4OGAHPGDALDH1A1
SCHEMBL24187604 0.76 CDC7 (0.48) CDC7DBF4OGAHPGDHTT
SCHEMBL23794732 0.76 CDC7 (0.48) CDC7DBF4OGAHPGDHTT
SCHEMBL16982078 0.76 OGA (0.59) CDC7DBF4OGAHDAC3HDAC4
SCHEMBL16933028 0.76 CDC7 (0.60) CDC7DBF4OGAHPGDHTT
SCHEMBL286068 0.76 CDC7 (0.60) CDC7DBF4OGAHPGDHDAC3
SCHEMBL5334339 0.75 OGA (0.55) CDC7DBF4OGAHDAC3HDAC4
SCHEMBL30908402 0.75 OGA (0.55) CDC7DBF4OGAHDAC3HDAC4
SCHEMBL2822653 0.75 OGA (0.50) CDC7DBF4OGAHPGDHTT

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
EP-3668881-B1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
EP-3668512-B1 PYRUVATE KINASE MODULATORS AND USE THEREOF AGIOS PHARMACEUTICALS INC (US) 2023-02-15 EP disclosed
US-20220395503-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS, INC. 2022-12-15 US disclosed
US-11364240-B2 Pyruvate kinase activators for use in treating blood disorders AGIOS PHARMACEUTICALS, INC. (US) 2022-06-21 US disclosed
US-20210130371-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS, INC. 2021-05-06 US disclosed
US-20200206225-A1 PYRUVATE KINASE MODULATORS AND USE THEREOF AGIOS PHARMACEUTICALS, INC. (US) 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 (4 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-11364240-B2 Pyruvate kinase activators for use in treating blood disorders PDK1, PDK2, PDK3 CDC7 720/4885DBF4 3825/4885OGA 1922/4885
US-20210130371-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS PDK1, PDK2, PDK3 CDC7 720/4885DBF4 3825/4885OGA 1922/4885
US-20200206225-A1 PYRUVATE KINASE MODULATORS AND USE THEREOF PDK1, PDK2, PDK4 CDC7 742/4885DBF4 3441/4885OGA 2204/4885
US-20220395503-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS PDK1, PDK2, PDK3 CDC7 720/4885DBF4 3825/4885OGA 1922/4885

“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.