SCHEMBL10185188

SCHEMBL10185188

CCCCOC(=O)c1cn2c(Br)cnc2cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.44
TSHR P16473 4/20 0.42
MAPT P10636 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 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
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
MEN1 O00255 2/20 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
SCHEMBL15717521 0.87 GAA (0.50) CYP1A2CYP2C19HPGDSMN1; SMN2KDM4E
SCHEMBL10185217 0.86 GAA (0.47) ESR1TSHRMAPTCYP1A2CYP2C19
SCHEMBL10185207 0.85 TSHR (0.42) ESR1TSHRMAPTCYP1A2CYP2C19
SCHEMBL10235660 0.81 TSHR (0.40) ESR1TSHRMAPTCYP1A2CYP2C19
SCHEMBL15739587 0.79 MAPK1 (0.42) TSHRMAPTCYP1A2CYP2C19HPGD
SCHEMBL10185189 0.75 TSHR (0.43) ESR1TSHRMAPTCYP1A2CYP2C19
SCHEMBL10185177 0.73 KDM4E (0.43) TSHRMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL23534359 0.72 RECQL (0.58) ESR1TSHRMAPTHPGDSMN1; SMN2
SCHEMBL10329866 0.72 TSHR (0.50) ESR1TSHRMAPTCYP1A2CYP2C19
SCHEMBL5700005 0.69 SMN1; SMN2 (0.50) ESR1TSHRMAPTCYP1A2CYP2C19

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 3 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
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 WO 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 ESR1 4241/4885TSHR 2976/4885MAPT 4105/4885

“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.