SCHEMBL10185207

SCHEMBL10185207

CCCCOC(=O)c1cn2c(I)cnc2cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ESR1 P03372 9/20 0.42
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 2/20 0.38
CYP2D6 P10635 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
PDE4D Q08499 1/20 0.37

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
SCHEMBL10185217 0.86 GAA (0.47) TSHRCYP1A2CYP2C19CYP3A4SMN1; SMN2
SCHEMBL10185188 0.85 ESR1 (0.44) TSHRCYP1A2CYP2C19CYP3A4SMN1; SMN2
SCHEMBL10235660 0.81 TSHR (0.40) TSHRCYP1A2CYP2C19CYP3A4SMN1; SMN2
SCHEMBL10185189 0.75 TSHR (0.43) TSHRCYP1A2CYP2C19CYP3A4SMN1; SMN2
SCHEMBL15717521 0.70 GAA (0.50) CYP1A2CYP2C19SMN1; SMN2HPGDALDH1A1
SCHEMBL5700217 0.69 ESR1 (0.50) TSHRCYP1A2CYP2C19CYP3A4SMN1; SMN2
SCHEMBL9915414 0.68 TSHR (0.54) TSHRCYP1A2CYP2C19CYP3A4SMN1; SMN2
SCHEMBL5127673 0.68 L3MBTL1 (0.60) TSHRCYP1A2CYP2C19CYP3A4SMN1; SMN2
SCHEMBL23534359 0.68 RECQL (0.58) TSHRSMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL8973197 0.67 TSHR (0.50) TSHRCYP1A2CYP2C19CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF TSHR 2976/4885CYP1A2 2345/4885CYP2C19 3284/4885

“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.