SCHEMBL10072092

SCHEMBL10072092

COc1ccc(-c2nccc(N[C@@H](C(=O)NCC(F)(F)F)C(C)C)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.39
FGFR3 P22607 1/20 0.39
PTGES O14684 2/20 0.38
ROCK2 O75116 2/20 0.37
HDAC1 Q13547 2/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
TRPV3 Q8NET8 2/20 0.36
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
GABRA1 P14867 1/20 0.35
PIK3CA P42336 1/20 0.35
ROCK1 Q13464 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FPR2 P25090 1/20 0.35

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
SCHEMBL10072529 0.88 CLK4 (0.47)
SCHEMBL10072308 0.85 ATM (0.36) KDRFGFR3ROCK2TRPV3ROCK1
SCHEMBL10044660 0.84 PTGES (0.39) KDRFGFR3PTGESMKNK1MKNK2
SCHEMBL10072356 0.82 ROCK2 (0.38) KDRFGFR3ROCK2TRPV3ROCK1
SCHEMBL10044786 0.82 ROCK2 (0.38) KDRFGFR3ROCK2HDAC1TBK1
SCHEMBL10072159 0.81 JAK3 (0.40) KDRFGFR3ROCK2ROCK1
SCHEMBL10044657 0.80 ROCK2 (0.44) KDRFGFR3PTGESROCK2HDAC1
SCHEMBL10044653 0.79 JAK3 (0.40) KDRFGFR3ROCK2ROCK1
SCHEMBL10044760 0.79 CLK4 (0.41)
SCHEMBL13305844 0.79 CLK4 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 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 (3 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-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 KDR 997/4885FGFR3 574/4885PTGES 683/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 KDR 997/4885FGFR3 574/4885PTGES 683/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 KDR 997/4885FGFR3 574/4885PTGES 683/4885

“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.