SCHEMBL8277692

SCHEMBL8277692

Cn1ncc2c3nc(Nc4cc(C(N)=O)ccc4OC(C)(F)F)sc3ccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.39
DYRK1A Q13627 1/20 0.32
PLK1 P53350 3/20 0.32
MAPK14 Q16539 3/20 0.32
SYK P43405 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
PLK2 Q9NYY3 1/20 0.32
PIK3CA P42336 1/20 0.31
P2RY1 P47900 1/20 0.31

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
SCHEMBL6126212 0.94 AR (0.40) ARPLK1CCNA2CDK2CCNA1
SCHEMBL6126541 0.89 HPGD (0.37) ARSYKKMT2AL3MBTL1PIK3CA
Hydrochloric Acid SCHEMBL6117543 0.88 HPGD (0.36) ARSYKKMT2AL3MBTL1PIK3CA
SCHEMBL8278500 0.87 SYK (0.36) ARDYRK1AMAPK14SYK
Hydrochloric Acid SCHEMBL6118017 0.86 SYK (0.36) ARDYRK1AMAPK14SYK
SCHEMBL8277683 0.85 NPC1 (0.33) KMT2ACCNA2CDK2
SCHEMBL8277641 0.84 PLK1 (0.35) ARDYRK1APLK1SYKKMT2A
SCHEMBL8277560 0.79 SYK (0.37) ARDYRK1AMAPK14SYK
SCHEMBL8278565 0.79 PLK1 (0.39) DYRK1APLK1CCNA2CDK2CCNA1
SCHEMBL8278710 0.79 TNNI3K (0.37) PLK1KMT2ACCNA2CDK2CCNA1

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-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 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-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 AR 4023/4885DYRK1A 4569/4885PLK1 2932/4885

“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.