SCHEMBL6710030

SCHEMBL6710030

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2ccc(NC(=O)c3cccnc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
BRAF P15056 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAK O14976 1/20 0.39
STK16 O75716 1/20 0.39
PIM1 P11309 1/20 0.39
AXL P30530 1/20 0.39
NEK2 P51955 1/20 0.39
STK3 Q13188 1/20 0.39
STK11 Q15831 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
BMP2K Q9NSY1 1/20 0.39
TNIK Q9UKE5 1/20 0.39
TEK Q02763 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
SCHEMBL6707706 0.89 GRM4 (0.44) ROCK2MEN1KMT2AALDH1A1RAB9A
SCHEMBL6708827 0.89 GAA (0.44) MEN1KMT2AALDH1A1BRAFRAB9A
SCHEMBL6710142 0.87 ROCK2 (0.41) ROCK2SMN1; SMN2GRM4F2PLG
SCHEMBL6710026 0.85 ROCK2 (0.41) ROCK2MEN1KMT2AALDH1A1POLB
SCHEMBL6710565 0.84 ROCK2 (0.43) ROCK2MEN1KMT2AALDH1A1RAB9A
SCHEMBL6707926 0.84 ROCK2 (0.40) ROCK2MEN1KMT2AGRM4HTT
SCHEMBL6710151 0.83 ROCK2 (0.40) ROCK2MEN1KMT2ARAB9ANPC1
SCHEMBL6710229 0.83 NAMPT (0.40) ROCK2MEN1KMT2AALDH1A1GRM4
SCHEMBL6710360 0.83 TDP2 (0.41) ROCK2TNIKGRM4BRPF1CSF1R
SCHEMBL7159445 0.83 ROCK2 (0.40) ROCK2KMT2AALDH1A1GRM4F2

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 4868/4885MEN1 4100/4885KMT2A 3181/4885

“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.