SCHEMBL700725

SCHEMBL700725

O=C(NO)c1ccc(Nc2nccc(-c3cnc4cnccn34)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.56
HDAC1 Q13547 4/20 0.55
CDK2 P24941 15/20 0.53
IGF1R P08069 2/20 0.53
HDAC3 O15379 2/20 0.52
NCOR1 O75376 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
JAK3 P52333 1/20 0.52
KCNH2 Q12809 3/20 0.48
CDK1 P06493 2/20 0.46
CDK4 P11802 2/20 0.46

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
SCHEMBL699645 0.89 CDK2 (0.67) CAMK2DHDAC1CDK2IGF1RHDAC3
SCHEMBL701078 0.88 CAMK2D (0.55) CAMK2DHDAC1CDK2IGF1RHDAC3
SCHEMBL699649 0.83 HDAC1 (0.79) HDAC1CDK2IGF1RHDAC3NCOR1
SCHEMBL701162 0.83 HDAC1 (0.58) CAMK2DHDAC1CDK2HDAC3NCOR1
SCHEMBL699633 0.83 CAMK2D (0.56) CAMK2DHDAC1CDK2IGF1RHDAC3
SCHEMBL699344 0.82 CDK2 (0.48) CAMK2DHDAC1CDK2IGF1RHDAC3
SCHEMBL6242882 0.81 CDK2 (0.63) CAMK2DHDAC1CDK2IGF1RCDK1
SCHEMBL699863 0.81 CDK2 (0.57) CAMK2DHDAC1CDK2IGF1RHDAC3
SCHEMBL699938 0.81 JAK2 (0.47) CAMK2DHDAC1CDK2IGF1RHDAC3
SCHEMBL699043 0.79 JAK2 (0.55) CAMK2DHDAC1CDK2IGF1RHDAC3

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 CAMK2D 487/4885HDAC1 1/4885CDK2 16/4885

“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.