SCHEMBL9305632

SCHEMBL9305632

Fc1cccc2nc(Cl)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
PARP1 P09874 2/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
DAO P14920 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGES O14684 4/20 0.36
JAK2 O60674 1/20 0.36
DDO Q99489 1/20 0.36
FEN1 P39748 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HCAR1 Q9BXC0 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL66296 0.79 NOS1 (0.44) CA12CA9PARP1NPC1RAB9A
SCHEMBL23278130 0.79 CA12 (0.42) CA12CA9PARP1NPC1RAB9A
SCHEMBL5142221 0.76 PARP1 (0.59) CA12CA9PARP1NPC1RAB9A
SCHEMBL12778711 0.76 CA12 (0.40) CA12CA9PARP1NPC1RAB9A
SCHEMBL8956424 0.76 TDP1 (0.33) PARP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6139156 0.76 PARP1 (0.41) PARP1NPC1RAB9ADAOALDH1A1
SCHEMBL9305473 0.76 ACHE (0.43) PARP1RAB9ADAOALDH1A1TDP1
SCHEMBL9306736 0.76 CA12 (0.40) CA12CA9PARP1NPC1RAB9A
SCHEMBL20479323 0.76 PDPK1 (0.43) CA12CA9PARP1PTGESHCAR1
SCHEMBL31122397 0.76 NUDT1 (0.48) CA12CA9PARP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9421213-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-08-23 US disclosed
US-20160074412-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-03-17 US disclosed
US-9155742-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-10-13 US disclosed
US-20150164908-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-06-18 US disclosed
US-8999997-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-07 US disclosed
EP-2579877-B1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2014-08-13 EP disclosed
US-20140018364-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2014-01-16 US disclosed
US-8552004-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-10-08 US disclosed
EP-2579877-A1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2013-04-17 EP disclosed
US-20130005725-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-8252802-B2 Chemical compounds ASTRAZENECA AB (SE) 2012-08-28 US disclosed
WO-2011154737-A1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-12-15 WO disclosed
US-20110306613-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-12-15 US disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 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 (5 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-20150164908-A1 Chemical Compounds CYP2C19, ABCG2, CYP2C9 CA12 3011/4885CA9 925/4885PARP1 2289/4885
US-20110306613-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 CA12 3011/4885CA9 925/4885PARP1 2289/4885
US-20160074412-A1 Chemical Compounds CYP2C19, ABCG2, CYP2C9 CA12 3011/4885CA9 925/4885PARP1 2289/4885
US-20130005725-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 CA12 3011/4885CA9 925/4885PARP1 2289/4885
US-20140018364-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 CA12 3011/4885CA9 925/4885PARP1 2289/4885

“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.