SCHEMBL10068280

SCHEMBL10068280

CC[C@@H](Nc1ccnc(C2CNc3ncc(Cl)cc32)n1)C(=O)NCC(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.31
JAK2 O60674 2/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
IP6K1 Q92551 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13059474 0.94 MAPK1 (0.31)
SCHEMBL13060037 0.91
SCHEMBL2633646 0.91
SCHEMBL10068274 0.90 CTSK (0.32)
SCHEMBL10067629 0.88 TRPV3 (0.31) JAK1
SCHEMBL10067630 0.88 TRPV3 (0.31) JAK1
SCHEMBL13060174 0.83 ROCK2 (0.36) JAK1JAK2TYK2JAK3LOXL2
SCHEMBL2633577 0.82 ROCK2 (0.47) JAK1JAK2TYK2JAK3IP6K1
SCHEMBL10067701 0.81 HTRA1 (0.33)
SCHEMBL13214995 0.80 IDO1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165307-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 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-20120165307-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 JAK1 2/4885JAK2 3/4885TYK2 11/4885

“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.