SCHEMBL4873532

SCHEMBL4873532

COC(=O)CCCc1n[c]c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
MIF P14174 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
TBXAS1 P24557 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7623365 0.97 TSHR (0.42) TSHRMIFHPGDLMNAALDH1A1
SCHEMBL7620248 0.95 HPGD (0.43) TSHRMIFHPGDLMNAALDH1A1
SCHEMBL7621113 0.82 CYP4F2 (0.47) TSHRALDH1A1TBXAS1MAPTKMT2A
SCHEMBL7623134 0.81 LMNA (0.45) TSHRMIFHPGDLMNAALDH1A1
SCHEMBL7616768 0.80 TBXAS1 (0.54) TSHRLMNAALDH1A1TBXAS1MAPT
SCHEMBL7616683 0.80 LMNA (0.47) TSHRMIFHPGDLMNAALDH1A1
SCHEMBL7618333 0.80 LMNA (0.47) TSHRMIFHPGDLMNAALDH1A1
SCHEMBL7623524 0.77 TBXAS1 (0.58) TSHRLMNAALDH1A1TBXAS1MAPT
SCHEMBL15874946 0.75 TBXAS1 (0.65) TSHRHPGDALDH1A1PDE3BPDE3A
SCHEMBL7626543 0.75 TBXAS1 (0.33) TBXAS1

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 22 patents — showing the first 20. 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 claimed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP claimed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP claimed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US claimed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP claimed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP claimed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 US claimed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US claimed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO claimed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO claimed
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-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 TSHR 3238/4885MIF 957/4885HPGD 3941/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 TSHR 1240/4885MIF 3126/4885HPGD 1100/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 TSHR 2200/4885MIF 2837/4885HPGD 831/4885

“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.