SCHEMBL2785304

SCHEMBL2785304

Cc1ccc(-n2cc(Br)c3c(Cl)ncnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.49
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ ADK P55263 2/20 0.42
▸ PDE11A Q9HCR9 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ PTBP1 P26599 1/20 0.38
▸ EGFR P00533 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ NR2F2 P24468 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
SCHEMBL391944 0.74 CA1 (0.47) CA12CA1CA2CA9ADK
SCHEMBL18967243 0.74 ADK (0.39) SRCCA12CA1CA2CA9
SCHEMBL19264154 0.73 SRC (0.67) SRCADKPDE11ALMNAHTT
SCHEMBL868823 0.73 ADK (0.49) SRCCA12CA1CA2CA9
SCHEMBL24072610 0.72 SRC (0.50) SRCCA12CA1CA2CA9
SCHEMBL30372966 0.71 ADK (0.38) SRCCA12CA1CA2CA9
SCHEMBL21638052 0.71 PI4KA (0.55) SRCALDH1A1EGFRPTGS1PTGS2
SCHEMBL2732311 0.71 PIP4K2A (0.41) LMNAHTTMAPTALDH1A1
SCHEMBL30975023 0.70 CA12 (0.53) SRCCA12CA1CA2CA9
SCHEMBL17043110 0.69 GAA (0.43) SRCADKLMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010066629-A2 NOVEL AZAINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 — — WO disclosed
WO-2010066629-A2 NOVEL AZAINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 — — WO disclosed
US-20100144758-A1 AZAINDOLE P2X3 AND P2X2/3 MODULATORS DILLON MICHAEL PATRICK 2010-06-10 — — US disclosed
US-20100144758-A1 AZAINDOLE P2X3 AND P2X2/3 MODULATORS DILLON MICHAEL PATRICK 2010-06-10 — — US disclosed
US-20100144758-A1 AZAINDOLE P2X3 AND P2X2/3 MODULATORS DILLON MICHAEL PATRICK 2010-06-10 — — US 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-20100144758-A1 AZAINDOLE P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 SRC 2083/4885CA12 4144/4885CA1 3566/4885

“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.

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