SCHEMBL6296206

SCHEMBL6296206

O=c1c2cc(Cl)ncc2ncn1Cc1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.57
HSD17B13 Q7Z5P4 1/20 0.49
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
GRK2 P25098 4/20 0.47
CDK9 P50750 1/20 0.47
GRK5 P34947 1/20 0.46
GRK1 Q15835 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
SCD O00767 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6387973 0.83 MMP13 (0.70) MMP13HSD17B13ROCK2ROCK1GRK2
SCHEMBL31742392 0.81 HTT (0.58) MMP13HSD17B13ROCK2ROCK1GRK2
SCHEMBL6296274 0.79 MMP13 (0.63) MMP13HSD17B13GRK2SMN1; SMN2
SCHEMBL5617838 0.75 MAOB (0.50) ROCK2ROCK1GRK2GRK1SMN1; SMN2
SCHEMBL6295992 0.75 MMP13 (0.67) MMP13
SCHEMBL5312149 0.75 HDAC3 (0.61) MMP13GRK2GRK5GRK1SMN1; SMN2
SCHEMBL2611277 0.74 MMP13 (0.59) MMP13HSD17B13GRK2
SCHEMBL6297436 0.74 MMP13 (0.56) MMP13GRK2SMN1; SMN2L3MBTL1
SCHEMBL6218212 0.74 MAPK14 (0.52) MMP13ROCK2ROCK1GRK2SMN1; SMN2
SCHEMBL6302786 0.74 MMP13 (0.51) MMP13HSD17B13

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894057-B2 Oxo-azabicyclic compounds WARNER-LAMBERT COMPANY (US) 2005-05-17 US disclosed
US-6747147-B2 INHIBITORS OF TYPE-13 MATRIX METTALOPROTEASE. RHEUMATOID ARTHRITIS OR OSTEOARTHRITIS, AS WELL AS CERTAIN PROLIFERATIVE CONDITIONS SUCH AS CANCERS, PARTICULARLY HUMAN BREAST CANCER WARNER-LAMBERT COMPANY 2004-06-08 US disclosed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US disclosed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 US disclosed
WO-2003076416-A1 OXO AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 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 (2 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-20030216402-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, XDH MMP13 1/4885HSD17B13 106/4885ROCK2 2869/4885
US-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 MMP13 1/4885HSD17B13 89/4885ROCK2 2770/4885

“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.