SCHEMBL4825003

SCHEMBL4825003

CC1(C)OB(c2ccc(Nc3nc4cc(C#N)ccc4o3)cc2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.52
CSNK1G2 P78368 1/20 0.52
IL6 P05231 1/20 0.41
STAT3 P40763 1/20 0.41
ABCC9 O60706 1/20 0.40
CETP P11597 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.39

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 0.84 MAPT (0.52) IL6STAT3HDAC6MAPT
SCHEMBL5801742 0.84 MAPT (0.52) IL6STAT3HDAC6MAPT
SCHEMBL4828199 0.83 KCNH2 (0.46) IL6STAT3HDAC6MAPT
SCHEMBL4827082 0.81 IL6 (0.59) IL6STAT3MAPT
SCHEMBL3478062 0.80 NPC1 (0.54) IL6STAT3HDAC6
SCHEMBL1333804 0.80 NPC1 (0.60) MAPT
SCHEMBL4823062 0.78 CSNK1D (0.57) CSNK1DCSNK1G2IL6STAT3CETP
SCHEMBL4826417 0.78 SMN1; SMN2 (0.56) IL6STAT3MAPT
SCHEMBL476909 0.72 LPL (0.53)
SCHEMBL6220204 0.71 KDR (0.46) CSNK1DCSNK1G2CETPHDAC6MAPT

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 CSNK1D 621/4885CSNK1G2 1153/4885IL6 3113/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 CSNK1D 342/4885CSNK1G2 653/4885IL6 2822/4885

“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.