SCHEMBL6700612

SCHEMBL6700612

CN1C(=O)N(Cc2ccc(F)c(F)c2)Cc2cc(C#CCc3ccc(F)cc3)sc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.31
SCD O00767 1/20 0.31
GRM4 Q14833 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HTT P42858 1/20 0.30
HTR6 P50406 1/20 0.30
POLB P06746 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
SCHEMBL6696647 0.93 CLPP (0.35) MAPK1GRM4
SCHEMBL6702121 0.91 ABCB1 (0.34) MAPK1ALDH1A1POLB
SCHEMBL6698925 0.81 MAPK1 (0.35) MAPK1SCD
SCHEMBL6700329 0.76 ALDH1A1 (0.35) MAPK1ALDH1A1HTT
SCHEMBL6814225 0.76 P2RX7 (0.35) MAPK1SCDALDH1A1HTT
SCHEMBL6706967 0.74 MMP13 (0.38)
SCHEMBL6700135 0.74 MAPK1 (0.35) MAPK1SCD
SCHEMBL6700606 0.74 CLPP (0.38) MAPK1SCDALDH1A1POLB
SCHEMBL6699940 0.73 MAPK1 (0.34) MAPK1ALDH1A1POLB
SCHEMBL6704262 0.72 P2RX7 (0.36) MAPK1

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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MAPK1 1571/4885SCD 2142/4885GRM4 3515/4885

“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.