SCHEMBL6760997

SCHEMBL6760997

Cc1cccc(-c2[nH]c(C(C)C)nc2-c2ccc3nonc3c2)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.50
MTOR P42345 1/20 0.50
MAPK14 Q16539 11/20 0.44
RIPK2 O43353 2/20 0.43
ACVR1B P36896 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KDR P35968 1/20 0.41
PRKD1 Q15139 1/20 0.40

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
SCHEMBL6760976 0.86 TGFBR1 (0.54) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6760970 0.85 TGFBR1 (0.69) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6761614 0.84 TGFBR1 (0.61) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL7250793 0.82 TGFBR1 (0.74) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL5199866 0.80 TGFBR1 (0.48) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6760994 0.80 TGFBR1 (0.45) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL5198642 0.79 KDM4E (0.49) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL5201273 0.78 TGFBR1 (0.47) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL5199441 0.78 TGFBR1 (0.47) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL5497047 0.78 TGFBR1 (0.54) TGFBR1MTORMAPK14RIPK2ACVR1B

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-20040220230-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. 2004-11-04 US disclosed
US-20030166633-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. (GB) 2003-09-04 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 (2 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-20030166633-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 TGFBR1 431/4885MTOR 3903/4885MAPK14 3277/4885
US-20040220230-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 TGFBR1 485/4885MTOR 4099/4885MAPK14 3471/4885

“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.