SCHEMBL18226830

SCHEMBL18226830

Clc1ccc2ncn(CC3CC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.41
GABRB3 P28472 6/20 0.41
GABRA5 P31644 6/20 0.41
YTHDC1 Q96MU7 2/20 0.41
FGFR1 P11362 1/20 0.38
FGFR4 P22455 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
CDK9 P50750 1/20 0.37
MAPK14 Q16539 3/20 0.35
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
CYP11B2 P19099 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL16035909 0.90 CDK9 (0.46) CDK9CYP11B2
SCHEMBL16972828 0.78 YTHDC1 (0.47) GABRG2GABRB3GABRA5YTHDC1FGFR1
SCHEMBL16984865 0.77 YTHDC1 (0.40) GABRG2GABRB3GABRA5YTHDC1HSD17B13
SCHEMBL18226836 0.75 YTHDC1 (0.39) GABRG2GABRB3GABRA5YTHDC1HSD17B13
SCHEMBL23756032 0.74 HTR7 (0.36) YTHDC1PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL31720305 0.74 FGFR1 (0.42) FGFR1FGFR4CYP11B2LMNAHTT
SCHEMBL29942248 0.74 HTR7 (0.36) YTHDC1PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL4961034 0.72 HDAC6 (0.45) GABRG2GABRB3GABRA5YTHDC1MAPK14
SCHEMBL30122470 0.72 HTR7 (0.35) YTHDC1PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL16972801 0.72 YTHDC1 (0.50) GABRG2GABRB3GABRA5YTHDC1

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
US-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2018-10-11 US disclosed
US-10016439-B2 Fused imidazole compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2018-07-10 US disclosed
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2016-11-17 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 (3 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-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP GABRG2 14/4885GABRB3 10/4885GABRA5 1/4885
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP GABRG2 14/4885GABRB3 10/4885GABRA5 1/4885
US-10016439-B2 Fused imidazole compounds GABRA5, CHRNA5, GABRP GABRG2 14/4885GABRB3 10/4885GABRA5 1/4885

“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.