SCHEMBL10044684

SCHEMBL10044684

CC(C)(Nc1ccnc(-c2ccc3c(c2)OCO3)n1)C(=O)NCC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 18/20 0.51
DYRK1A Q13627 13/20 0.51
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2D6 P10635 4/20 0.51
CYP2C19 P33261 4/20 0.51
MEN1 O00255 3/20 0.51
MAPK1 P28482 3/20 0.51
KMT2A Q03164 3/20 0.51
USP2 O75604 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL10044644 0.84 PRMT7 (0.46) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL10044785 0.82 ROCK2 (0.44) CLK4CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL13305844 0.81 CLK4 (0.48) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL10044767 0.81 ROCK2 (0.47) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10044685 0.79 JAK3 (0.51) CYP1A2CYP3A4CYP2C19ALOX15SMN1; SMN2
SCHEMBL10044773 0.78 PRMT7 (0.46)
SCHEMBL10044783 0.78 ROCK2 (0.42) MEN1KMT2ATDP1KDM4E
SCHEMBL10044668 0.76 PI4KA (0.47) CYP3A4CYP2D6
SCHEMBL10044760 0.76 CLK4 (0.41) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL10044669 0.74 PIK3CA (0.49) DYRK1ACYP3A4

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 6 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-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-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 CLK4 1038/4885DYRK1A 1020/4885CYP1A2 4024/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 CLK4 1038/4885DYRK1A 1020/4885CYP1A2 4024/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 CLK4 1038/4885DYRK1A 1020/4885CYP1A2 4024/4885

“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.