SCHEMBL4824834

SCHEMBL4824834

Nc1ncnc2c1c(N1CCOCC1)nn2-c1ccnc(N2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ METTL3 Q86U44 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
SCHEMBL27936855 0.72 LRRK2 (0.59) LRRK2PIK3CASMN1; SMN2
SCHEMBL27953708 0.70 GAA (0.51) KDM4EGAAJAK2JAK3PIK3CA
SCHEMBL18692998 0.70 LRRK2 (0.50) LRRK2BACE1PIK3CA
SCHEMBL30441864 0.68 PIK3CA (0.58) LRRK2GAAPIK3CANPC1RAB9A
SCHEMBL247194 0.68 PIK3CA (0.58) LRRK2GAAPIK3CANPC1RAB9A
SCHEMBL16655310 0.67 PIK3CD (0.50) KDM4EGAA
SCHEMBL18692982 0.67 NPC1 (0.50) LRRK2BACE1PIK3CANPC1RAB9A
Hydrochloric Acid SCHEMBL23908596 0.67 PIK3CD (0.49) KDM4EGAA
SCHEMBL807666 0.66 CYP2C19 (0.58) LRRK2KDM4EGAAJAK2JAK3
SCHEMBL13412132 0.65 PIK3CA (0.58) LRRK2PIK3CANPC1RAB9ASMN1; SMN2

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 11 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-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 — — 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 (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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN LRRK2 4690/4885KDM4E 375/4885GAA 1841/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 LRRK2 1839/4885KDM4E 4178/4885GAA 678/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 LRRK2 2281/4885KDM4E 3921/4885GAA 938/4885

“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.

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