SCHEMBL4819924

SCHEMBL4819924

Cc1cc(C)c2sc(Nc3ccc(Br)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.43
DHODH Q02127 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42

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
SCHEMBL1748096 0.80 NPC1 (0.43) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL14880928 0.78 RAPGEF4 (0.51) RAPGEF4SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL12593865 0.77 NPC1 (0.60) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL4823033 0.72 KDR (0.52) RAPGEF4SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL29142833 0.70 RAPGEF4 (1.00) RAPGEF4
SCHEMBL1752748 0.69 NPC1 (0.75) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL14881256 0.69 RAB9A (0.50) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL2171105 0.68 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL1748195 0.68 RAB9A (0.52) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL14880886 0.68 MAPT (0.84) SMN1; SMN2KMT2AMEN1NPC1RAB9A

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
CN-101426792-A Pyrazolopyrimidines as therapeutic agents ABBOTT GMBH & CO KG (DE) 2009-05-06 CN disclosed
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
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN 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 RAPGEF4 699/4885SMN1; SMN2 2408/4885KMT2A 3130/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 RAPGEF4 1059/4885SMN1; SMN2 1992/4885KMT2A 3670/4885

“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.