SCHEMBL537851

SCHEMBL537851

Cc1nc2cccc(F)c2c(F)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.46
PDE10A Q9Y233 4/20 0.39
PDE2A O00408 3/20 0.39
HSP90AB1 P08238 1/20 0.37
ACHE P22303 1/20 0.36
ELANE P08246 1/20 0.36
KCNH2 Q12809 1/20 0.34

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
SCHEMBL28219972 0.86 PARP1 (0.46) PARP1PDE10APDE2AACHEELANE
SCHEMBL29077016 0.83 PARP1 (0.50) PARP1PDE10APDE2AHSP90AB1ACHE
SCHEMBL14842795 0.76 PARP1 (0.47) PARP1PDE10APDE2AHSP90AB1ACHE
SCHEMBL10157246 0.76 PARP1 (0.41) PARP1PDE10APDE2AHSP90AB1KCNH2
SCHEMBL10157248 0.76 PARP1 (0.44) PARP1PDE10APDE2AHSP90AB1ELANE
SCHEMBL538144 0.76 TDP1 (0.43) PARP1HSP90AB1ACHEELANE
SCHEMBL2126781 0.75 PARP1 (0.46) PARP1PDE10APDE2AHSP90AB1ACHE
SCHEMBL2930063 0.74 PARP1 (0.41) PARP1HSP90AB1ACHEELANE
SCHEMBL27810585 0.74 GPR3 (0.53) PDE10A
SCHEMBL25339206 0.74 HSP90AB1 (0.38) PARP1PDE10APDE2AHSP90AB1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598159-B2 Therapeutic pyrazoloquinoline derivatives DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-12-03 US disclosed
EP-2166852-B1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS INC (US) 2012-02-08 EP disclosed
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-17 US disclosed
US-7872002-B2 Therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-18 US disclosed
EP-2166852-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES Helicon Therapeutics, Inc. (US) 2010-03-31 EP disclosed
WO-2008154438-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-18 WO disclosed
US-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-11 US 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-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 PARP1 4637/4885PDE10A 740/4885PDE2A 1016/4885
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 PARP1 4637/4885PDE10A 740/4885PDE2A 1016/4885

“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.