SCHEMBL2864188

SCHEMBL2864188

CN1CCN(CC(=O)Nc2ccc3c(c2)[nH]c(=O)c2c(N)n(-c4ccccc4)nc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.49
KHK P50053 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
PDE5A O76074 1/20 0.42
TERT O14746 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
ABCB1 P08183 1/20 0.40

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
SCHEMBL2862297 0.93 TERT (0.52) KHKLMNATERTADORA3ADORA2A
SCHEMBL2862306 0.86 KHK (0.45) PARP1KHKLMNAGAAADORA3
SCHEMBL2868580 0.84 KHK (0.42) KHKRAB9A
SCHEMBL2862861 0.83 MAP4K4 (0.38) PARP1KHKADORA3ADORA2AADORA1
SCHEMBL14375305 0.82 TERT (0.43) PARP1TERTALDH1A1RAB9A
SCHEMBL2872630 0.81 HTR7 (0.42) PARP1KHKSMN1; SMN2LMNAGAA
SCHEMBL14374845 0.81 TERT (0.56) TERT
SCHEMBL2869212 0.79 HTR7 (0.43) KHKSMN1; SMN2GAAALDH1A1
SCHEMBL2856171 0.78 FGFR1 (0.38) SMN1; SMN2
SCHEMBL2868597 0.74 TDP2 (0.56) SMN1; SMN2LMNAPDE5AADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
EP-1719771-A1 PYRAZOLOQUINOLONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-08 EP 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 (1 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-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof MAP3K20, MAP4K5, MAP4K3 PARP1 2258/4885KHK 192/4885SMN1; SMN2 4851/4885

“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.