SCHEMBL4826417

SCHEMBL4826417

CC1(C)OB(c2ccc(Nc3nc4cc(OC(F)(F)F)ccc4o3)cc2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
RAF1 P04049 1/20 0.52
BRAF P15056 1/20 0.52
FAAH O00519 1/20 0.42
IL6 P05231 1/20 0.42
STAT3 P40763 1/20 0.42
FBP1 P09467 1/20 0.41

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
SCHEMBL4820387 0.81 MAPT (0.52) SMN1; SMN2MAPTMEN1NPC1RAB9A
SCHEMBL5801742 0.81 MAPT (0.52) SMN1; SMN2MAPTMEN1NPC1RAB9A
SCHEMBL4827082 0.81 IL6 (0.59) SMN1; SMN2MAPTMEN1KMT2ARAF1
SCHEMBL4828199 0.80 KCNH2 (0.46) MAPTMEN1KMT2ARAF1BRAF
SCHEMBL4819268 0.80 SMN1; SMN2 (0.65) SMN1; SMN2MAPTMEN1NPC1RAB9A
SCHEMBL3478062 0.78 NPC1 (0.54) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL4825003 0.78 CSNK1D (0.52) MAPTIL6STAT3
SCHEMBL1333804 0.77 NPC1 (0.60) SMN1; SMN2MAPTMEN1NPC1RAB9A
SCHEMBL5238603 0.74 CA1 (0.53)
SCHEMBL3475559 0.71 NPC1 (0.70) SMN1; SMN2MAPTMEN1NPC1RAB9A

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-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 SMN1; SMN2 2408/4885MAPT 3448/4885MEN1 2926/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SMN1; SMN2 1992/4885MAPT 3263/4885MEN1 2274/4885

“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.