Sugi Predict

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SCHEMBL1333804

SCHEMBL1333804

CC1(C)OB(c2ccc(Nc3nc4ccccc4o3)cc2)OC1(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.60
▸ RAB9A P51151 7/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ PKM P14618 3/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ MAPT P10636 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ PDE10A Q9Y233 1/20 0.45
▸ CYP26A1 O43174 1/20 0.45
▸ LPL P06858 2/20 0.44
▸ LIPG Q9Y5X9 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ KDR P35968 2/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ ROCK2 O75116 1/20 0.43

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
SCHEMBL3478062 0.85 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL5801742 0.84 MAPT (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4820387 0.84 MAPT (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4828199 0.83 KCNH2 (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL3664227 0.81 ELANE (0.43) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL4827082 0.81 IL6 (0.59) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4826876 0.81 NPC1 (0.57) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL4825003 0.80 CSNK1D (0.52) MAPT
SCHEMBL4818665 0.78 LPL (0.37) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL4826417 0.77 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2MAPTMEN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012061602-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-05-10 — — WO disclosed
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-11-10 — — US disclosed
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 — — US disclosed
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 — — US disclosed
EP-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 — — EP disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 — — US disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 — — EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 — — EP disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 — — WO disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 — — US disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 — — EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 — — EP disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 — — US disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 — — US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 — — EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 — — US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 — — WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 — — WO disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 — — EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 — — 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-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 NPC1 1327/4885RAB9A 524/4885SMN1; SMN2 2408/4885
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 NPC1 1899/4885RAB9A 889/4885SMN1; SMN2 3776/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 NPC1 991/4885RAB9A 975/4885SMN1; SMN2 1992/4885
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS MAP3K7, MAP3K5, MAP3K20 NPC1 2739/4885RAB9A 2176/4885SMN1; SMN2 3850/4885

“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.