SCHEMBL3093653

SCHEMBL3093653

COc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(CNS(C)(=O)=O)c3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
AAK1 Q2M2I8 1/20 0.39
LIPG Q9Y5X9 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
SRC P12931 1/20 0.37
ACLY P53396 2/20 0.36
APEX1 P27695 1/20 0.36
FLT1 P17948 3/20 0.35
FLT4 P35916 3/20 0.35
KDR P35968 3/20 0.35
BRD4 O60885 1/20 0.35
IDO1 P14902 1/20 0.35
MAPK8 P45983 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 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
SCHEMBL3559001 0.89 MCL1 (0.41) AURKAAURKBAAK1LIPGIGF1R
SCHEMBL3319448 0.88 AAK1 (0.40) AURKAAURKBAAK1LIPGIGF1R
SCHEMBL3105545 0.85 HSD17B3 (0.41) AAK1ACLYFLT1FLT4KDR
SCHEMBL13155447 0.84 IGF1R (0.39) AURKAAURKBAAK1LIPGIGF1R
SCHEMBL3098577 0.82 TMEM97 (0.39) AURKAAURKBAAK1LIPGIGF1R
Trifluoroacetic Acid SCHEMBL3105083 0.81 AVPR1B (0.36) AURKAAURKBAAK1LIPGIGF1R
SCHEMBL13335803 0.80 AAK1 (0.39) AURKAAURKBAAK1LIPGIGF1R
SCHEMBL5011218 0.78 MCL1 (0.41) APEX1IDO1SERPINE1
SCHEMBL3560339 0.77 MCL1 (0.46) RAB9ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3092625 0.76 NPC1 (0.43) AURKAAURKBLIPGIDO1RAB9A

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-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders BAER PHAMACEUTICALS CORPORATION (US) 2006-08-31 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 (3 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 AURKA 3326/4885AURKB 1259/4885AAK1 3771/4885
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI AURKA 3520/4885AURKB 1623/4885AAK1 3757/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 AURKA 3326/4885AURKB 1259/4885AAK1 3771/4885

“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.