SCHEMBL21486169

SCHEMBL21486169

CNC(=O)C1(F)CCN(C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.36
MMP13 P45452 3/20 0.36
MMP1 P03956 1/20 0.36
MMP8 P22894 3/20 0.33
MMP14 P50281 3/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
CYP2D6 P10635 2/20 0.33
HRH3 Q9Y5N1 5/20 0.32
HCN4 Q9Y3Q4 1/20 0.30
POLB P06746 1/20 0.30
KCNH2 Q12809 1/20 0.30
OPRL1 P41146 1/20 0.30
P2RX7 Q99572 2/20 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
SCHEMBL22198690 0.84 KMT2A (0.36) MMP9MMP13MMP1MMP8MMP14
SCHEMBL30335840 0.80
SCHEMBL19537450 0.77
SCHEMBL20715339 0.74 POLB (0.30) POLB
SCHEMBL25905688 0.74 CYP2D6 (0.33) MMP9MMP13MMP1CYP2D6HRH3
SCHEMBL20103556 0.73 CYP3A4 (0.37)
SCHEMBL19169447 0.73
SCHEMBL23324538 0.71 MMP9 (0.32) MMP9MMP13MMP1MMP8MMP14
SCHEMBL12026459 0.70 L3MBTL1 (0.40) KCNH2
SCHEMBL27425090 0.70 HRH3 (0.42) MMP9MMP13MMP1MMP8MMP14

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-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-17 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-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 MMP9 1838/4885MMP13 893/4885MMP1 1748/4885

“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.