SCHEMBL13699118

SCHEMBL13699118

CCN(Cc1ccccc1)Cc1cccc(OC)c1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.79
MAPK1 P28482 1/20 0.79
BCHE P06276 5/20 0.72
CALM1 P0DP23 1/20 0.68
CAMKK2 Q96RR4 1/20 0.68
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KDM4E B2RXH2 2/20 0.53
ACHE P22303 2/20 0.52
MAOB P27338 1/20 0.51
G6PC1 P35575 1/20 0.51
HSD17B10 Q99714 1/20 0.50
TAS2R14 Q9NYV8 1/20 0.50
MEP1B Q16820 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL17475575 0.91 TSHR (0.65) TSHRMAPK1BCHECALM1CAMKK2
Bromide SCHEMBL21056122 0.90 TSHR (0.63) TSHRMAPK1BCHECALM1CAMKK2
SCHEMBL22340700 0.84 TSHR (0.75) TSHRMAPK1BCHECYP1A2CYP2D6
SCHEMBL11454505 0.83 TAAR1 (0.57) TSHRMAPK1BCHECALM1CAMKK2
SCHEMBL14027662 0.83 CALM1 (0.97) TSHRMAPK1BCHECALM1CAMKK2
SCHEMBL14376701 0.83 CALM1 (0.56) TSHRMAPK1BCHECALM1CAMKK2
SCHEMBL10276031 0.81 CALM1 (0.62) TSHRMAPK1BCHECALM1CAMKK2
SCHEMBL2062287 0.81 CALM1 (0.62) TSHRMAPK1BCHECALM1CAMKK2
SCHEMBL14376860 0.80 CALM1 (0.53) TSHRMAPK1BCHECALM1CAMKK2
SCHEMBL375111 0.80 KDM4E (0.68) TSHRMAPK1BCHECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET TSHR 1728/4885MAPK1 274/4885BCHE 3315/4885

“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.