SCHEMBL3972438

SCHEMBL3972438

COC(=O)c1cc(-c2cncc(Br)c2)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
FAAH O00519 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL3971543 0.85 POLB (0.44) MAPTSMN1; SMN2KMT2A
SCHEMBL22578393 0.82 TP53 (0.54) MMP2MMP13MMP14TP53MAPT
SCHEMBL2203443 0.81 MMP2 (0.49) MMP2MMP13MMP14TP53MAPT
SCHEMBL12278777 0.78 NR4A2 (0.49) MMP2MMP13MMP14MAPK1TP53
SCHEMBL3972288 0.76 PTGS2 (0.38) CYP1A2CYP3A4PTGS2KMT2A
SCHEMBL3974458 0.76 RAB9A (0.40) SMN1; SMN2KMT2ACYP2A6
SCHEMBL4296485 0.76 GRM5 (0.55) MMP2MMP13MMP14TP53SMN1; SMN2
SCHEMBL10028688 0.75 CYP11B2 (0.57) MAPK1MAPTATMCYP1A2CYP3A4
SCHEMBL31200322 0.73 CYP2A6 (0.41) PTGS2CYP2A6
SCHEMBL1314210 0.73 MAPT (0.41) MMP2MMP13MMP14MAPK1TP53

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 MMP2 2819/4885MMP13 3724/4885MMP14 3610/4885

“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.