SCHEMBL13060360

SCHEMBL13060360

CC1(C#N)CN(C(=O)C(F)(F)F)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.35
CTSB P07858 3/20 0.32
CTSS P25774 3/20 0.32
CTSK P43235 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL24597150 0.79 SMN1; SMN2 (0.48) VNN1SMN1; SMN2
SCHEMBL1705699 0.75 VNN1 (0.35) VNN1SMN1; SMN2
SCHEMBL21112193 0.75 VNN1 (0.38) VNN1SMN1; SMN2
SCHEMBL23075157 0.75 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL2378821 0.73
SCHEMBL22900030 0.71 ALDH1A1 (0.57) VNN1
SCHEMBL1706650 0.70 USP2 (0.43) VNN1CTSKSMN1; SMN2
SCHEMBL13004338 0.69 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL15335066 0.69 CYP3A4 (0.35)
SCHEMBL23084056 0.68 EPHX1 (0.31)

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-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-7767672-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 US disclosed
WO-2007056221-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 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-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 VNN1 4221/4885CTSB 3650/4885CTSS 3434/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 VNN1 4221/4885CTSB 3650/4885CTSS 3434/4885

“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.