SCHEMBL720374

SCHEMBL720374

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cn2)C2CCCCC2)oc2c(F)cc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCG P01275 4/20 0.40
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
AKR1C3 P42330 3/20 0.33
EPHX2 P34913 1/20 0.32
SLC6A9 P48067 2/20 0.32
SLC6A5 Q9Y345 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS2 P35354 3/20 0.31
HCAR3 P49019 1/20 0.31
GCGR P47871 1/20 0.31

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
SCHEMBL719112 0.89 NPC1 (0.41) GCGCDK1CDK2AKR1C3EPHX2
SCHEMBL721589 0.88 PIK3CB (0.35) GCGSLC6A9SLC6A5
SCHEMBL720291 0.88 PIK3CB (0.36) GCGSLC6A9TDP1
SCHEMBL718929 0.84 GCG (0.37) GCGCDK1CDK2AKR1C3EPHX2
SCHEMBL716628 0.84 CDK4 (0.37) GCG
SCHEMBL10284459 0.82 RAB9A (0.41) GCGCDK1CDK2EPHX2TDP1
SCHEMBL716992 0.81 RAB9A (0.38) GCGCDK1CDK2EPHX2TDP1
SCHEMBL718115 0.80 PIK3CB (0.35) SLC6A9TDP1
SCHEMBL1439851 0.78 GCG (0.41) GCGCDK1CDK2AKR1C3EPHX2
SCHEMBL721071 0.77 GCG (0.44) GCGGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885CDK1 1615/4885CDK2 815/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885CDK1 1615/4885CDK2 815/4885

“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.