SCHEMBL10165992

SCHEMBL10165992

CCN1CCC[C@H]1CNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNCO4)n3ccnc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.44
MCHR1 Q99705 2/20 0.40
MCHR2 Q969V1 1/20 0.40
HSD17B10 Q99714 2/20 0.39
MALT1 Q9UDY8 1/20 0.37
CAMK2D Q13557 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.36
RAD52 P43351 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
MITF O75030 1/20 0.36

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
SCHEMBL10166032 0.92 PIK3CA (0.39) IKBKBMALT1
SCHEMBL1685179 0.86 MAPKAPK5 (0.44) IKBKBMCHR1MCHR2HSD17B10MALT1
SCHEMBL1685180 0.86 MAPKAPK5 (0.44) IKBKBMCHR1MCHR2HSD17B10MALT1
SCHEMBL10166155 0.83 TTK (0.35) IKBKB
SCHEMBL12618755 0.83 HSD17B10 (0.44) IKBKBMCHR1MCHR2HSD17B10MALT1
SCHEMBL10166349 0.83 BRAF (0.42) IKBKB
SCHEMBL10166358 0.83 BRAF (0.38)
SCHEMBL10166145 0.82 BRAF (0.42) IKBKB
SCHEMBL10166148 0.82 POLB (0.40) IKBKBCAMK2DALDH1A1GAA
SCHEMBL10166838 0.82 FYN (0.45) IKBKBROCK2

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-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N. V. (BE) 2012-01-12 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-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES COL2A1, MMP1, COL1A1 IKBKB 135/4885MCHR1 4798/4885MCHR2 4805/4885

“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.