SCHEMBL5454744

SCHEMBL5454744

O=C(Cc1cccc(Cl)n1)c1ccc(Cl)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
GRM4 Q14833 2/20 0.34
KDR P35968 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
PDE4D Q08499 1/20 0.33
GRM5 P41594 1/20 0.33
HSD11B1 P28845 1/20 0.33
KMO O15229 1/20 0.33
PTPN1 P18031 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5943295 0.83 ALDH1A1 (0.50) RAB9ANPC1PDE4DMAPTL3MBTL1
SCHEMBL5943286 0.83 PARP1 (0.44) RAB9ANPC1GRM4KDRGRM5
SCHEMBL5455921 0.82 RAB9A (0.48) RAB9ANPC1GRM4MAPTL3MBTL1
SCHEMBL5452893 0.81 NOTUM (0.31) KDR
SCHEMBL5452890 0.81 NOTUM (0.31) KDR
SCHEMBL19203282 0.78 CA12 (0.43) RAB9ANPC1CA12CA1CA2
SCHEMBL5943201 0.77 SMN1; SMN2 (0.46) GRM5MAPT
SCHEMBL5349959 0.77 RAB9A (0.59) RAB9ANPC1HSD11B1PTPN1MAPT
SCHEMBL5943173 0.75 ALDH1A1 (0.42) RAB9ANPC1GRM4PTPN1MAPT
SCHEMBL5209337 0.75 RAB9A (0.49) RAB9ANPC1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-7163940-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-16 US disclosed
US-20060293344-A1 Therapeutic Compounds BOYD F L 2006-12-28 US disclosed
US-7153855-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP disclosed
US-20050049260-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-03 US disclosed
US-20050049259-A1 Theraopeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-03 US disclosed
EP-1366048-B1 PYRAZOLOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2004-08-25 EP disclosed
EP-1377573-A2 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-01-07 EP disclosed
EP-1366048-A2 PYRAZOLOPYRIDINE DERIVATIVES SmithKline Beecham Corporation (US) 2003-12-03 EP disclosed
WO-2002072581-A2 PYRAZOLOPYRIADINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-09-19 WO disclosed
WO-2002048148-A2 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-06-20 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 (4 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-20050049259-A1 Theraopeutic compounds PCSK9, FOLH1, EPHA2 RAB9A 2333/4885NPC1 205/4885GRM4 2429/4885
US-20060293344-A1 Therapeutic Compounds PCSK9, ABCB1, ABCB11 RAB9A 1243/4885NPC1 6/4885GRM4 3071/4885
US-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 RAB9A 1326/4885NPC1 1177/4885GRM4 3798/4885
US-20050049260-A1 Therapeutic compounds ABCB1, PCSK9, ABCB11 RAB9A 1242/4885NPC1 8/4885GRM4 3076/4885

“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.