SCHEMBL1972250

SCHEMBL1972250

CCCCOC(=O)c1nc(-c2ccoc2)c2sccc2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.43
ADORA1 P30542 3/20 0.43
ESR1 P03372 7/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H2 P55055 1/20 0.35
RNASEL Q05823 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LRRK2 Q5S007 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
EGFR P00533 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL1972792 0.93 ADORA2A (0.42) ADORA2AADORA1ESR1LMNATSHR
SCHEMBL1974809 0.85 EGFR (0.44) ADORA1ESR1LMNATSHRCYP1A2
SCHEMBL1972992 0.84 ESR1 (0.38) ESR1LMNATSHRCYP1A2CYP2C19
SCHEMBL1973361 0.84 CDC7 (0.39) ADORA2AADORA1ESR1LMNATSHR
SCHEMBL1973342 0.82 ADORA2A (0.43) ADORA2AADORA1ESR1LMNATSHR
SCHEMBL1974634 0.82 ESR1 (0.43) ESR1LMNATSHRCYP1A2CYP2C19
SCHEMBL1974405 0.81 ESR1 (0.44) ESR1LMNATSHRCYP1A2CYP2C19
SCHEMBL1973167 0.81 ESR1 (0.43) ESR1LMNATSHRCYP1A2CYP2C19
SCHEMBL1974917 0.81 MAPT (0.44) ADORA2AADORA1ESR1LMNATSHR
SCHEMBL1972674 0.79 L3MBTL1 (0.45) ESR1LMNATSHRCYP1A2CYP2C19

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-9000006-B2 Thienopyridine compounds, and methods of use thereof FIBROGEN, INC. (US) 2015-04-07 US disclosed
US-20140221422-A1 NOVEL THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2014-08-07 US disclosed
US-8703795-B2 Thienopyridine compounds, and methods of use thereof FIBROGEN, INC. (US) 2014-04-22 US disclosed
EP-1866318-B1 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN INC (US) 2011-06-22 EP disclosed
EP-1866318-A2 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2007-12-19 EP disclosed
WO-2006094292-A2 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2006-09-08 WO disclosed
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof FIBROGEN, INC. 2006-09-07 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-20140221422-A1 NOVEL THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN2 ADORA2A 259/4885ADORA1 1106/4885ESR1 3632/4885
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof HIF1AN, HIF1A, EGLN2 ADORA2A 259/4885ADORA1 1106/4885ESR1 3632/4885

“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.