SCHEMBL6694949

SCHEMBL6694949

O=c1c2nc(C#CCc3ccc(F)cc3)sc2ncn1Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KCNH2 Q12809 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HPGD P15428 3/20 0.44
PKM P14618 2/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.39
TSHR P16473 2/20 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
SCHEMBL6704886 0.96 MMP13 (0.56) MMP13MEN1KMT2AMAPTRXFP1
SCHEMBL6822798 0.96 MMP13 (0.56) MMP13MEN1KMT2AMAPTRXFP1
SCHEMBL6699569 0.80 MMP13 (0.57) MMP13MEN1KMT2AMAPTRXFP1
SCHEMBL6697107 0.79 MMP13 (0.60) MMP13MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6703411 0.78 MMP13 (0.56) MMP13MEN1KMT2AMAPTRXFP1
SCHEMBL6704369 0.78 MEN1 (0.50) MMP13MEN1KMT2AMAPTRXFP1
SCHEMBL6698933 0.75 MMP13 (0.49) MMP13MEN1KMT2AMAPTRXFP1
SCHEMBL6704202 0.73 MMP13 (0.57) MMP13MEN1KMT2AMAPTRXFP1
SCHEMBL6698919 0.72 CNR2 (0.53) MMP13MEN1KMT2AHPGDLMNA
SCHEMBL6702609 0.71 MMP13 (0.46) MMP13MEN1KMT2ARXFP1HPGD

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 MMP13 13/4885MEN1 4003/4885KMT2A 2485/4885

“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.