SCHEMBL6754255

SCHEMBL6754255

COc1ccc(N)cc1-c1cncnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.49
ERN1 O75460 1/20 0.47
IMPDH2 P12268 1/20 0.45
IMPDH1 P20839 1/20 0.45
KDM4C Q9H3R0 1/20 0.43
ABL1 P00519 2/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
KLK3 P07288 1/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL14107922 0.83 NTRK1 (0.52) NTRK1IMPDH2IMPDH1KDM4CKDM4E
SCHEMBL2652791 0.82 MKNK1 (0.55) NTRK1ERN1KDM4CKDM4EKLK3
SCHEMBL8502557 0.81 CYP17A1 (0.55) ERN1ABL1KCNH2KDM4EALDH1A1
SCHEMBL3784958 0.80 NTRK1 (0.49) NTRK1KDM4CABL1KDM4EALDH1A1
SCHEMBL27185972 0.79 ALDH1A1 (0.55) IMPDH2IMPDH1KDM4CKDM4EALDH1A1
SCHEMBL654302 0.77 PTGDR2 (0.57) NTRK1KDM4CKDM4EALDH1A1USP2
SCHEMBL6803347 0.77 ALDH1A1 (0.45) ABL1KDM4EALDH1A1MAPTGAA
SCHEMBL7088870 0.76 EGFR (0.41) KCNH2ALDH1A1TSHRMAPK1CYP17A1
SCHEMBL5841896 0.75 TDP1 (0.54) NTRK1ABL1KDM4EALDH1A1USP2
Hydrochloric Acid SCHEMBL654301 0.75 PTGDR2 (0.55) NTRK1KDM4CKDM4EALDH1A1USP2

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-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 NTRK1 484/4885ERN1 1356/4885IMPDH2 2958/4885

“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.