SCHEMBL699043

SCHEMBL699043

O=C(NO)c1ccc(Nc2nccc(-c3cnc4cc(CN5CCOCC5)ccn34)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.55
JAK3 P52333 7/20 0.55
HDAC1 Q13547 5/20 0.55
JAK1 P23458 3/20 0.55
TYK2 P29597 3/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 1/20 0.55
NCOR1 O75376 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
CDK2 P24941 4/20 0.46
IGF1R P08069 1/20 0.46
EGFR P00533 1/20 0.45
CAMK2D Q13557 2/20 0.44
BMPR1B O00238 1/20 0.44
PLK4 O00444 1/20 0.44
CIT O14578 1/20 0.44
GAK O14976 1/20 0.44
OPA1 O60313 1/20 0.44
ROCK2 O75116 1/20 0.44

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
SCHEMBL699938 0.93 JAK2 (0.47) JAK2JAK3HDAC1JAK1TYK2
SCHEMBL700324 0.87 JAK2 (0.60) JAK2JAK3HDAC1HDAC6HDAC3
SCHEMBL3348703 0.83 HDAC1 (0.43) JAK2JAK3HDAC1JAK1TYK2
SCHEMBL699344 0.82 CDK2 (0.48) JAK2JAK3HDAC1JAK1TYK2
SCHEMBL700350 0.80 HDAC1 (0.61) JAK2HDAC1JAK1HDAC6HDAC3
SCHEMBL700725 0.79 CAMK2D (0.56) JAK2JAK3HDAC1JAK1TYK2
SCHEMBL3353710 0.77 HDAC1 (0.39) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL699645 0.77 CDK2 (0.67) JAK2JAK3HDAC1JAK1TYK2
SCHEMBL199233 0.77 HDAC1 (0.39) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3352879 0.76 HDAC1 (0.38) HDAC1HDAC6HDAC3HDAC2HDAC8

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-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed

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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 JAK2 745/4885JAK3 1359/4885HDAC1 1/4885

“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.