SCHEMBL3970935

SCHEMBL3970935

Cn1nc(N)cc1-c1cncc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.38
CYP2A6 P11509 2/20 0.37
PTK2 Q05397 1/20 0.36
PDPK1 O15530 1/20 0.33
CYP11B1 P15538 2/20 0.33
PIK3CD O00329 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PGR P06401 1/20 0.30
PTGS2 P35354 1/20 0.30
POLB P06746 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL31200322 0.81 CYP2A6 (0.41) CYP11B2CYP2A6PTK2CYP11B1ALDH1A1
SCHEMBL28240638 0.77 MEN1 (0.41) ALDH1A1MAPTL3MBTL1ADORA1KDM4E
SCHEMBL3971543 0.75 POLB (0.44) ALDH1A1MAPTL3MBTL1KDM4EPOLB
SCHEMBL30991226 0.72 CYP2A6 (0.39) CYP11B2CYP2A6PTK2CYP11B1PGR
SCHEMBL3972438 0.72 MMP2 (0.44) CYP2A6MAPTPTGS2
SCHEMBL3972288 0.72 PTGS2 (0.38) L3MBTL1ADORA1KDM4EPTGS2POLB
SCHEMBL3974458 0.72 RAB9A (0.40) CYP11B2CYP2A6ALDH1A1KDM4EPOLB
SCHEMBL2685157 0.72 AURKB (0.41) ALDH1A1MAPTL3MBTL1
SCHEMBL7371813 0.69 CYP1A2 (0.47) ALDH1A1MAPTKDM4EPOLB
SCHEMBL14392676 0.69 CYP2A6 (0.61) CYP11B2CYP2A6PTK2CYP11B1KDM4E

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-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 CYP11B2 265/4885CYP2A6 1100/4885PTK2 403/4885

“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.