SCHEMBL2633775

SCHEMBL2633775

CC(C)(Nc1ccnc(C2CNc3ncc(Cl)cc32)n1)C(=O)NCCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
PTGES O14684 4/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 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
SCHEMBL13060174 0.91 ROCK2 (0.36) HRH4HRH3
SCHEMBL10067408 0.88 BCL6 (0.34) CDK2
SCHEMBL13060096 0.86 KLKB1 (0.30)
SCHEMBL10067701 0.84 HTRA1 (0.33) MAPK1
SCHEMBL2633577 0.82 ROCK2 (0.47)
SCHEMBL13060111 0.81 SSTR4 (0.33) MAPK1HRH4HRH3
SCHEMBL13060173 0.80 JAK2 (0.31)
SCHEMBL13059246 0.80 LRRK2 (0.30)
SCHEMBL13059352 0.79 STK17B (0.30)
SCHEMBL10067203 0.79 FGFR3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163917-B2 Azaindoles useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20100311743-A1 Azaindoles Useful as Inhibitors of Janus Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 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-20100311743-A1 Azaindoles Useful as Inhibitors of Janus Kinases JAK3, JAK1, JAK2 MAPK1 416/4885HRH4 2015/4885HRH3 1595/4885

“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.