SCHEMBL980674

SCHEMBL980674

NC(=O)c1ncc(CC2CC2)c(-c2nnc[nH]2)c1-c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 3/20 0.32
HTR2B P41595 1/20 0.31
SYK P43405 1/20 0.31
ADORA2A P29274 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
F11 P03951 2/20 0.31
KLKB1 P03952 2/20 0.31
KDM1A O60341 1/20 0.31
DGAT1 O75907 1/20 0.31
BRS3 P32247 1/20 0.31
NLN Q9BYT8 2/20 0.30
IKBKB O14920 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL978876 0.82 IKBKB (0.33) MAP2SYKADORA2AJAK1JAK3
SCHEMBL986288 0.73 FYN (0.38) SYKADORA2AJAK3IKBKBLRRK2
SCHEMBL986290 0.73 DYRK1B (0.39) MAP2ADORA2AIKBKB
SCHEMBL979102 0.69 MEN1 (0.33) SYK
SCHEMBL15153029 0.69 IKBKB (0.35) IKBKB
SCHEMBL4408031 0.67 CCNC (0.32) JAK1JAK3
SCHEMBL15153040 0.67 RPS6KB1 (0.34) IKBKBLRRK2
SCHEMBL15410115 0.65 SQOR (0.33)
SCHEMBL1507145 0.65 KDM4E (0.42) JAK1JAK3IKBKB
Hydrochloric Acid SCHEMBL29898842 0.64 KDM4E (0.41) JAK1JAK3IKBKB

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-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 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-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 MAP2 480/4885HTR2B 4736/4885SYK 560/4885

“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.