SCHEMBL5515424

SCHEMBL5515424

COc1ccc(COc2cncc(Br)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
APP P05067 5/20 0.44
MAOB P27338 3/20 0.43
ABCB1 P08183 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LRRK2 Q5S007 1/20 0.42
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
NTRK1 P04629 1/20 0.40
CSF1R P07333 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
PDE2A O00408 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL30746387 0.84 CCR5 (0.46) NPC1RAB9AMAOBSMN1; SMN2LMNA
SCHEMBL26984849 0.84 CCR5 (0.46) NPC1RAB9AMAOBSMN1; SMN2LMNA
SCHEMBL26985270 0.83 AOC3 (0.55) ABCB1SMN1; SMN2MAPTL3MBTL1IDO1
SCHEMBL22323905 0.81 NPC1 (0.51) NPC1RAB9AAPPMAOBABCB1
SCHEMBL27037199 0.81 NPC1 (0.51) NPC1RAB9AAPPMAOBABCB1
SCHEMBL1028222 0.79 MAPT (0.53) NPC1RAB9AAPPMAOBABCB1
SCHEMBL3579056 0.76 APP (0.50) NPC1RAB9AAPPMAOBABCB1
SCHEMBL16019002 0.75 NPC1 (0.55) NPC1RAB9AAPPMAOBABCB1
SCHEMBL31013377 0.74 NPC1 (0.54) NPC1RAB9AAPPMAOBABCB1
SCHEMBL31613453 0.73 ENPP2 (0.49) MAOBLMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2006-05-25 US disclosed
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-6919461-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation REICH SIEGFRIED HEINZ (US) 2003-07-24 US disclosed
US-6555539-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS 2003-04-29 US disclosed
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS 2002-10-31 US disclosed
EP-1250326-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2002-10-23 EP disclosed
WO-2001053268-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 NPC1 2507/4885RAB9A 1411/4885APP 1977/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 NPC1 2507/4885RAB9A 1411/4885APP 1977/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 NPC1 2507/4885RAB9A 1411/4885APP 1977/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 NPC1 244/4885RAB9A 2583/4885APP 3672/4885

“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.