SCHEMBL6709844

SCHEMBL6709844

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2cccc(OC[C@H]3COC(C)(C)O3)c21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.33
ALK Q9UM73 1/20 0.33
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
KDM1A O60341 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
EGFR P00533 4/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
F10 P00742 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6713771 0.91 MAPK14 (0.34) MAPK14JAK2NTRK1KCNJ5KCNJ3
SCHEMBL6707756 0.91 F10 (0.40) MAPK14KCNJ5KCNJ3F10
SCHEMBL6710365 0.88 KDM1A (0.39) KDM1ALCKFYNLMNAMAPT
SCHEMBL6710238 0.87 MAPK14 (0.35) MAPK14ALKJAK2NTRK1KDM1A
SCHEMBL6707832 0.87 ADRA2A (0.37) MAPT
SCHEMBL6708943 0.87 MAPT (0.36) KDM1ALCKFYNSMN1; SMN2LMNA
SCHEMBL6711750 0.86 KDM1A (0.39) KDM1ALCKFYNLMNAMAPT
SCHEMBL6710156 0.86 KDM1A (0.38) KDM1A
SCHEMBL6918952 0.85 MAPK14 (0.31) MAPK14KCNJ5KCNJ3
SCHEMBL6919505 0.85 F10 (0.36) MAPK14KCNJ5KCNJ3F10

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 MAPK14 2897/4885ALK 3005/4885JAK2 1940/4885

“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.