SCHEMBL4724261

SCHEMBL4724261

Cn1nc(C2CCN(C(=O)OCc3ccccc3)C2)c(C2=CCCCC2)c1N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.45
JAK2 O60674 5/20 0.44
JAK1 P23458 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CYP2C19 P33261 1/20 0.43
USP30 Q70CQ3 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TYK2 P29597 4/20 0.41
JAK3 P52333 4/20 0.41
GRIN2B Q13224 2/20 0.38
HTT P42858 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
F12 P00748 1/20 0.37

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
SCHEMBL4723683 0.74 USP30 (0.53) PDE4BJAK2JAK1SMN1; SMN2CYP2C19
SCHEMBL4762090 0.73 AADAT (0.39) RAB9ACYP2C9
SCHEMBL4762083 0.73 AADAT (0.39) RAB9ACYP2C9
SCHEMBL4721036 0.72 PARP1 (0.47) PDE4BJAK2JAK1SMN1; SMN2CYP2C19
SCHEMBL1720529 0.72 ALDH1A1 (0.51) HTT
SCHEMBL26983216 0.68 SMN1; SMN2 (0.53) PDE4BJAK2JAK1SMN1; SMN2CYP2C19
SCHEMBL17826956 0.68 SMN1; SMN2 (0.52) PDE4BJAK2JAK1SMN1; SMN2CYP2C19
SCHEMBL19405228 0.68 GRIN2B (0.60) PDE4BJAK2JAK1SMN1; SMN2CYP2C19
SCHEMBL19405175 0.68 PDE4B (0.63) PDE4BJAK2JAK1SMN1; SMN2CYP2C19
SCHEMBL19404810 0.68 SMN1; SMN2 (0.57) PDE4BJAK2JAK1SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468748-B1 Pyrazoloquinolones are potent parp inhibitors ABBVIE INC (US) 2016-05-25 EP disclosed
US-20140213610-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. (US) 2014-07-31 US disclosed
EP-1989204-B1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC (US) 2014-05-21 EP disclosed
US-8546368-B2 Pyrazoloquinolones are potent PARP inhibitors ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2468748-A1 Pyrazoloquinolones are potent parp inhibitors Abbott Laboratories (US) 2012-06-27 EP disclosed
EP-1989204-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2008-11-12 EP disclosed
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-10-25 US disclosed
WO-2007095628-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-08-23 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-20140213610-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PDE4B 1039/4885JAK2 3121/4885JAK1 3981/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PDE4B 1039/4885JAK2 3121/4885JAK1 3981/4885

“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.