SCHEMBL2657089

SCHEMBL2657089

N#Cc1ccc(F)c(Br)c1N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.39
CYP11B1 P15538 10/20 0.37
CYP11B2 P19099 10/20 0.37
KHK P50053 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL25259747 0.75 ESR1 (0.41) TRPV4CYP11B1CYP11B2ESR1ESR2
SCHEMBL2655367 0.75 TRPV4 (0.39) TRPV4CYP11B1CYP11B2KHKKDM4E
SCHEMBL31156144 0.75 AR (0.40) TRPV4CYP11B1CYP11B2ESR1ESR2
SCHEMBL25411155 0.75 TRPV4 (0.35) TRPV4CYP11B1CYP11B2KHKKDM4E
SCHEMBL27967296 0.75 TRPV4 (0.39) TRPV4CYP11B2KHKKDM4EUSP2
SCHEMBL19898945 0.74 TRPV4 (0.42) TRPV4CYP11B1CYP11B2ESR1ESR2
SCHEMBL17651309 0.74 TRPV4 (0.42) TRPV4CYP11B1CYP11B2KHKESR1
SCHEMBL30352797 0.74 KDM4E (0.43) TRPV4CYP11B1CYP11B2KDM4EUSP2
SCHEMBL28597079 0.74 KDM4E (0.43) TRPV4CYP11B1CYP11B2KDM4EUSP2
SCHEMBL16122331 0.72 TRPV4 (0.41) TRPV4CYP11B1CYP11B2ESR1ESR2

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-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 CN disclosed
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 EP disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF TRPV4 4304/4885CYP11B1 406/4885CYP11B2 381/4885

“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.