SCHEMBL538143

SCHEMBL538143

Fc1nc2cccc(Cl)c2c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
ELANE P08246 4/20 0.42
GRIN1 Q05586 4/20 0.39
GRIN2A Q12879 4/20 0.39
ACHE P22303 4/20 0.39
BCHE P06276 2/20 0.38
C1R P00736 1/20 0.36
DHFR P00374 1/20 0.35
PBRM1 Q86U86 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
SCHEMBL10581933 0.76 AXL (0.39) PARP1ACHEDHFR
SCHEMBL2930063 0.74 PARP1 (0.41) PARP1ELANEACHE
SCHEMBL7070701 0.69 KMT2A (0.44) PARP1ELANE
SCHEMBL31140889 0.68 PARP1 (0.46) PARP1ELANEGRIN1GRIN2AACHE
SCHEMBL7811084 0.68 PARP1 (0.46) PARP1ELANEGRIN1GRIN2AACHE
SCHEMBL538144 0.68 TDP1 (0.43) PARP1ELANEACHE
SCHEMBL3337344 0.67 PARP1 (0.44) PARP1ELANEGRIN1GRIN2AACHE
SCHEMBL30013654 0.67 PARP1 (0.44) PARP1ELANEGRIN1GRIN2AACHE
SCHEMBL10455684 0.67 TDP1 (0.46) PARP1ELANEGRIN1GRIN2AACHE
SCHEMBL15058512 0.66 KDM4E (0.44) ACHE

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 4637/4885ELANE 4818/4885GRIN1 38/4885
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 PARP1 4637/4885ELANE 4818/4885GRIN1 38/4885

“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.