SCHEMBL6710026

SCHEMBL6710026

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2ccc(NC(=O)c3cccnc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.40
BRAF P15056 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
BRPF1 P55201 1/20 0.38
GAK O14976 1/20 0.38
STK16 O75716 1/20 0.38
PIM1 P11309 1/20 0.38
AXL P30530 1/20 0.38
NEK2 P51955 1/20 0.38
STK3 Q13188 1/20 0.38
STK11 Q15831 1/20 0.38
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL6710122 0.90 MEN1 (0.42) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6707880 0.89 GAA (0.42) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6710082 0.87 ROCK2 (0.37) ROCK2SMN1; SMN2HSD17B10GRM4KLKB1
SCHEMBL6707687 0.86 PYGM (0.39) ROCK2MEN1KMT2AGRM4KLKB1
SCHEMBL6709892 0.85 RAB9A (0.41) ROCK2ALDH1A1MEN1KMT2APOLB
SCHEMBL6710030 0.85 ROCK2 (0.45) ROCK2ALDH1A1MEN1KMT2APOLB
SCHEMBL6707775 0.84 ABL1 (0.42) ROCK2MEN1KMT2AMAPT
SCHEMBL6713177 0.84 NAMPT (0.39) ROCK2ALDH1A1SMN1; SMN2HPGDGRM4
SCHEMBL6713409 0.84 TDP2 (0.42) ROCK2BRPF1TNIKGRM4KLKB1
SCHEMBL6707688 0.83 ADORA2B (0.38) ROCK2ALDH1A1GRM4KDM4ELMNA

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 ROCK2 4868/4885ALDH1A1 123/4885MEN1 4100/4885

“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.