SCHEMBL21481996

SCHEMBL21481996

Cc1cccc(Br)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
LCK P06239 2/20 0.40
NAMPT P43490 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NQO2 P16083 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KCNA5 P22460 1/20 0.38

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
SCHEMBL29473241 0.84 KDM4A (0.43) KDM4AMEN1NPC1HTTRAB9A
SCHEMBL29793807 0.84 POLB (0.53) KDM4AMEN1NPC1HTTRAB9A
SCHEMBL29473242 0.84 KDM4A (0.43) KDM4AMEN1NPC1HTTRAB9A
SCHEMBL6095753 0.83 MEN1 (0.47) KDM4AMEN1NPC1HTTRAB9A
SCHEMBL18685355 0.83 KDM4A (0.44) KDM4APOLBMAPK1ATMCTSS
SCHEMBL19716899 0.83 HDAC1 (0.44) KDM4APOLBMAPK1ATMLCK
SCHEMBL20558403 0.82 KDM4A (0.43) KDM4APOLBMAPK1ATMCTSS
SCHEMBL31437501 0.80 KDM4A (0.40) KDM4AMEN1NPC1HTTRAB9A
SCHEMBL31706488 0.80 KCNA5 (0.46) KDM4APOLBMAPK1ATMCTSS
SCHEMBL31142897 0.80 RIPK1 (0.46) KDM4AMEN1NPC1HTTRAB9A

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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
WO-2019197546-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES 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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 KDM4A 1311/4885MEN1 3139/4885NPC1 3981/4885

“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.