SCHEMBL379865

SCHEMBL379865

c1ccc(CNc2nccc3scc(-c4ccccc4)c23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.55
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
TNF P01375 1/20 0.50
MAPK1 P28482 1/20 0.50
NOD1 Q9Y239 1/20 0.50
UTS2R Q9UKP6 1/20 0.47
KDR P35968 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
LMNA P02545 1/20 0.41
PDE11A Q9HCR9 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
PDE4A P27815 3/20 0.40

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
SCHEMBL4946829 0.93 PDE11A (0.49) ESR1CCNCCDK8TNFMAPK1
SCHEMBL379602 0.91 PDE11A (0.47) ESR1CCNCCDK8TNFMAPK1
SCHEMBL379757 0.91 CCNC (0.47) ESR1CCNCCDK8TNFMAPK1
SCHEMBL379387 0.86 TNF (0.69) TNFMAPK1NOD1AURKBLMNA
SCHEMBL379643 0.85 CYP1A2 (0.58) CCNCCDK8MAPK1CYP1A2CYP3A4
SCHEMBL380011 0.85 UTS2R (0.53) TNFMAPK1NOD1UTS2RCYP1A2
SCHEMBL379745 0.84 EED (0.49) ESR1TNFMAPK1NOD1ALOX15
SCHEMBL379800 0.84 KDM4E (0.43) ESR1CCNCCDK8TNFMAPK1
SCHEMBL379904 0.83 UTS2R (0.49) ESR1MAPK1UTS2RLMNAPDE4A
SCHEMBL379896 0.82 CLK4 (0.59) MAPK1KDRCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968982-B1 THIENO (3,2-C) PYRIDINE COMPOUNDS XENTION LTD (GB) 2012-01-25 EP claimed
US-20070161672-A1 Compounds XENTION LIMITED 2007-07-12 US claimed
US-9216992-B2 Thieno[3,2-c]pyridine potassium channel inhibitors XENTION LIMITED (GB) 2015-12-22 US disclosed
EP-1968982-B1 THIENO (3,2-C) PYRIDINE COMPOUNDS XENTION LTD (GB) 2012-01-25 EP disclosed
US-20070161672-A1 Compounds XENTION LIMITED 2007-07-12 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 (1 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-20070161672-A1 Compounds KCNJ2, KCNT1, KCNT2 ESR1 4761/4885CCNC 2358/4885CDK8 1639/4885

“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.