SCHEMBL12948701

SCHEMBL12948701

Cc1cccc(-c2nc(C)n(-c3ccn(C)c(=O)c3)c2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.39
TDP2 O95551 1/20 0.39
TSHR P16473 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37
TGFBR1 P36897 2/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
NR4A2 P43354 1/20 0.36
RXRG P48443 1/20 0.36
BACE1 P56817 2/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AOC3 Q16853 1/20 0.35
KMT2A Q03164 1/20 0.34
TGFBR2 P37173 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL12948768 0.88 TSHR (0.39) DCTPP1TSHRBACE1CYP2C9AOC3
SCHEMBL12948807 0.88 GRM5 (0.41) DCTPP1TSHRCYP2C9KMT2AKDM4E
SCHEMBL12948897 0.84 DCTPP1 (0.37) DCTPP1TDP2TSHRRXFP1RXRA
SCHEMBL12948813 0.84 ALDH1A1 (0.40) DCTPP1TDP2TSHRRXFP1RXRA
SCHEMBL12948704 0.82 GLO1 (0.36) DCTPP1TDP2TSHRRXFP1RXRA
SCHEMBL12948832 0.81 TDP2 (0.39) DCTPP1TDP2TSHRRXFP1RXRA
SCHEMBL12948833 0.81 TGFBR1 (0.41) TDP2TSHRRXFP1TGFBR1RXRA
SCHEMBL12948765 0.80 XDH (0.41) DCTPP1TSHRRXFP1RXRARXRB
SCHEMBL12948875 0.80 GRM5 (0.37) DCTPP1AOC3MAPK14
SCHEMBL978638 0.76 GRM5 (0.42) KDM4EHPGD

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
EP-2456765-B1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-05-01 EP disclosed
US-8334287-B2 Imidazoles HOFFMANN-LA ROCHE INC. (US) 2012-12-18 US disclosed
US-20110015202-A1 IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2011-01-20 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-20110015202-A1 IMIDAZOLES GRM5, GRM1, GRIK5 DCTPP1 3954/4885TDP2 3081/4885TSHR 141/4885

“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.