SCHEMBL21483553

SCHEMBL21483553

CC(C)(C)OC(=O)NCc1ccccc1NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.56
NR1H4 Q96RI1 1/20 0.52
NAMPT P43490 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
KCNA5 P22460 1/20 0.48
SUCNR1 Q9BXA5 2/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.45
KDM4A O75164 1/20 0.44
MAPT P10636 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL8235396 0.88 KCNA5 (0.50) HDAC1NAMPTKCNA5HDAC10HDAC6
SCHEMBL17141912 0.86 NPC1 (0.53) HDAC1NR1H4NAMPTHPGDALDH1A1
SCHEMBL21446866 0.86 NPC1 (0.53) HDAC1NR1H4NAMPTALDH1A1KDM4A
SCHEMBL13853697 0.83 POLB (0.52) HDAC1NAMPTKCNA5ALDH1A1HDAC10
SCHEMBL28131286 0.82 KCNA5 (0.50) HDAC1NAMPTKCNA5HDAC10HDAC6
SCHEMBL2829176 0.82 POLB (0.56) HDAC1NR1H4NAMPTHPGDALDH1A1
SCHEMBL6679107 0.82 KCNA5 (0.46) HDAC1NAMPTKCNA5HPGDALDH1A1
SCHEMBL8018113 0.81 KCNA5 (0.56) HDAC1NAMPTKCNA5HDAC10HDAC6
SCHEMBL30159605 0.81 KCNA5 (0.56) HDAC1NAMPTKCNA5HDAC10HDAC6
SCHEMBL21446756 0.81 BRAF (0.46) HDAC1NAMPTHDAC10HDAC6KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE LEAD DISCOVERY CENTER GMBH (DE) 2021-05-20 US disclosed
WO-2019197549-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE QURIENT CO., LTD. (KR) 2019-10-17 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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE CDK1, CDK2, CDK15 HDAC1 533/4885NR1H4 3339/4885NAMPT 948/4885

“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.