SCHEMBL4723683

SCHEMBL4723683

Cn1nc(C2CCN(C(=O)OCc3ccccc3)C2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.53
PDE4B Q07343 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
JAK2 O60674 5/20 0.49
JAK1 P23458 5/20 0.49
TYK2 P29597 4/20 0.47
JAK3 P52333 4/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GRIN2B Q13224 2/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TRPC3 Q13507 2/20 0.43
TRPC7 Q9HCX4 2/20 0.43
ENPP2 Q13822 1/20 0.43

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
SCHEMBL13263743 0.80 SMN1; SMN2 (0.56) USP30PDE4BSMN1; SMN2CYP2C19NPC1
SCHEMBL19385266 0.80 USP30 (0.59) USP30PDE4BSMN1; SMN2CYP2C19NPC1
SCHEMBL16948815 0.78 SMN1; SMN2 (0.53) USP30SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL19404912 0.78 GRIN2B (0.58) USP30PDE4BSMN1; SMN2CYP2C19NPC1
SCHEMBL19400770 0.78 USP30 (0.69) USP30PDE4BSMN1; SMN2CYP2C19NPC1
SCHEMBL4473246 0.78 JAK2 (0.49) USP30PDE4BSMN1; SMN2CYP2C19NPC1
SCHEMBL19405091 0.74 SMN1; SMN2 (0.52) USP30PDE4BSMN1; SMN2CYP2C19NPC1
SCHEMBL26983216 0.74 SMN1; SMN2 (0.53) USP30PDE4BSMN1; SMN2CYP2C19NPC1
SCHEMBL19405175 0.74 PDE4B (0.63) USP30PDE4BSMN1; SMN2CYP2C19NPC1
SCHEMBL19404810 0.74 SMN1; SMN2 (0.57) USP30PDE4BSMN1; SMN2CYP2C19NPC1

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 USP30 2530/4885PDE4B 1039/4885SMN1; SMN2 3231/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 USP30 2530/4885PDE4B 1039/4885SMN1; SMN2 3231/4885

“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.