SCHEMBL4826876

SCHEMBL4826876

CC1(C)OB(c2ccc(Nc3nc4ccccc4o3)c(F)c2)OC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.57
RAB9A P51151 9/20 0.57
SMN1; SMN2 Q16637 6/20 0.48
MAPT P10636 6/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
PKM P14618 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
C1R P00736 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.38

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
SCHEMBL5550282 0.88 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL1333804 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL1335513 0.79 KDR (0.49) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL11380542 0.78 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL5803954 0.76 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL5802083 0.76 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL3478062 0.76 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5803349 0.75 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL19495396 0.72 LPL (0.49) HIF1AEGFRLPLLIPGROCK1
SCHEMBL31394586 0.71 LPL (0.38) EGFRLPLLIPG

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 18 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
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 US disclosed
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP 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-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 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
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001072751-A1 PYRROLOPYRIMIDINES AS TYROSINE KINASE INHIBITORS KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-10-04 WO 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 (3 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-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI NPC1 4777/4885RAB9A 3043/4885SMN1; SMN2 2883/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 NPC1 1327/4885RAB9A 524/4885SMN1; SMN2 2408/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 NPC1 991/4885RAB9A 975/4885SMN1; SMN2 1992/4885

“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.