SCHEMBL10185189

SCHEMBL10185189

CCCCOC(=O)c1cn2ccnc2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
POLB P06746 1/20 0.40
LMNA P02545 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NAMPT P43490 1/20 0.39
ESR1 P03372 6/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6410488 0.86 KDM4E (0.53) KDM4EHPGDCYP1A2CYP2C19ALDH1A1
SCHEMBL24998437 0.79 NAMPT (0.44) KDM4EHPGDCYP1A2CYP2C19ALDH1A1
SCHEMBL10185217 0.76 GAA (0.47) TSHRKDM4EHPGDCYP1A2CYP2C19
SCHEMBL10185207 0.75 TSHR (0.42) TSHRKDM4EHPGDCYP1A2CYP2C19
SCHEMBL10185188 0.75 ESR1 (0.44) TSHRKDM4EHPGDCYP1A2CYP2C19
SCHEMBL10235660 0.73 TSHR (0.40) TSHRKDM4EHPGDCYP1A2CYP2C19
SCHEMBL24574424 0.72 NAMPT (0.40) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL21500646 0.70 NAMPT (0.44) TSHRCYP1A2MAPTCYP3A4MEN1
SCHEMBL15718343 0.70 NAMPT (0.50) TSHRKDM4EHPGDCYP1A2CYP2C19
SCHEMBL8405192 0.70 MAPT (0.64) TSHRKDM4EHPGDCYP1A2ALDH1A1

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
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 TSHR 2976/4885KDM4E 2722/4885HPGD 2536/4885

“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.