SCHEMBL4822833

SCHEMBL4822833

CC1(C)OB(c2ccc(Nc3n[nH]c4ccccc34)cc2)OC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.57
FADS1 O60427 2/20 0.47
GRM4 Q14833 4/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
ADRA2A P08913 2/20 0.41
EGFR P00533 7/20 0.39
AURKA O14965 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
SCHEMBL27604456 0.76 TRPA1 (0.71) TRPA1FADS1GRM4ADRA2A
SCHEMBL4741513 0.75 TRPA1 (0.75) TRPA1FADS1GRM4ADRA2AEGFR
SCHEMBL29882003 0.75 TRPA1 (0.75) TRPA1FADS1GRM4ADRA2AEGFR
SCHEMBL4828265 0.75 EPHX2 (0.58) CA12CA1CA2CA3CA4
SCHEMBL1129188 0.74 LPL (0.65) CA12CA1CA2CA3CA4
SCHEMBL1104787 0.73 KDM4E (0.43) TRPA1LPLLIPGAURKA
SCHEMBL29592533 0.73 TRPA1 (0.71) TRPA1FADS1GRM4ADRA2AEGFR
SCHEMBL4822088 0.73 TRPA1 (0.71) TRPA1FADS1GRM4ADRA2AAURKA
SCHEMBL2380323 0.72 PRMT5 (0.42) CA12CA1CA2CA3CA4
SCHEMBL7346388 0.71 TRPA1 (0.69) TRPA1FADS1GRM4ADRA2AAURKA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7400979-B2 Kinase inhibitors; genetic engineering ABBOTT LABORATORIES (US) 2008-07-15 US 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
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-20030175935-A1 Method of identifying inhibitors of Lck ABBVIE INC. 2003-09-18 US disclosed
WO-2003020880-A2 METHOD OF IDENTIFYING INHIBITORS OF LCK ABBOTT LABORATORIES (US) 2003-03-13 WO 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-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 TRPA1 2644/4885FADS1 4541/4885GRM4 1631/4885
US-20030175935-A1 Method of identifying inhibitors of Lck LCK, FYN, ZAP70 TRPA1 3517/4885FADS1 3456/4885GRM4 4250/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 TRPA1 2676/4885FADS1 4524/4885GRM4 2147/4885

“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.