SCHEMBL3968985

SCHEMBL3968985

COC(=O)C(=O)CC(=O)c1cncc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 4/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 2/20 0.46
RAB9A P51151 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
EGFR P00533 1/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL1477156 0.84 KDM4E (0.56) KDM4EPOLBHCAR2CYP1A2CYP3A4
SCHEMBL5094634 0.83 KDM4E (0.67) KDM4EPOLBHCAR2CYP1A2CYP3A4
SCHEMBL3825532 0.80 KDM4E (0.59) KDM4EPOLBHCAR2CYP1A2CYP3A4
SCHEMBL6133214 0.78 POLB (0.63) KDM4EPOLBHCAR2HTTMAPT
SCHEMBL31585402 0.78 KDM4E (0.53) KDM4EPOLBHCAR2CYP1A2CYP3A4
SCHEMBL1659844 0.78 CYP2C19 (0.61) KDM4EPOLBHCAR2CYP1A2CYP3A4
SCHEMBL6564351 0.78 POLB (0.62) KDM4EPOLBHCAR2CYP1A2CYP3A4
SCHEMBL29433500 0.78 POLB (0.62) KDM4EPOLBHCAR2CYP1A2CYP3A4
SCHEMBL309752 0.76 ATM (0.65) KDM4EPOLBHCAR2CYP1A2CYP3A4
SCHEMBL29564949 0.76 ATM (0.65) KDM4EPOLBHCAR2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101484438-A Pyrazole derivatives and their use as P13K inhibitors ASTRAZENECA AB (SE) 2009-07-15 CN disclosed
US-20090118336-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
EP-2016068-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS AstraZeneca AB (SE) 2009-01-21 EP disclosed
WO-2007129052-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2007-11-15 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-20090118336-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MTOR, RICTOR, PIK3R5 KDM4E 2658/4885POLB 2474/4885HCAR2 3040/4885

“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.