SCHEMBL10044669

SCHEMBL10044669

CC(=O)Nc1nc2ccc(-c3nccc(NC(C)(C)C(=O)NCC(F)(F)F)n3)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.49
AKT1 P31749 2/20 0.49
CYP3A4 P08684 2/20 0.48
PIK3CG P48736 5/20 0.48
DYRK1A Q13627 2/20 0.48
MTOR P42345 2/20 0.46

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
SCHEMBL10044668 0.86 PI4KA (0.47) PIK3CACYP3A4PIK3CG
SCHEMBL10044665 0.85 PIK3CA (0.48) PIK3CAAKT1CYP3A4PIK3CGDYRK1A
SCHEMBL10072602 0.83 PIK3CA (0.46) PIK3CAAKT1CYP3A4PIK3CGDYRK1A
SCHEMBL10044783 0.83 ROCK2 (0.42)
SCHEMBL10044785 0.81 ROCK2 (0.44) CYP3A4
SCHEMBL10044685 0.79 JAK3 (0.51) CYP3A4
SCHEMBL10044767 0.77 ROCK2 (0.47) CYP3A4
SCHEMBL10044646 0.75 PIK3CA (0.44) PIK3CACYP3A4PIK3CGDYRK1A
SCHEMBL10044781 0.74 CLK4 (0.50) CYP3A4DYRK1A
SCHEMBL10044684 0.74 CLK4 (0.51) CYP3A4DYRK1A

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 PIK3CA 52/4885AKT1 132/4885CYP3A4 4251/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PIK3CA 52/4885AKT1 132/4885CYP3A4 4251/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 PIK3CA 52/4885AKT1 132/4885CYP3A4 4251/4885

“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.