SCHEMBL700863

SCHEMBL700863

O=C(NO)c1ccc(Nc2nccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.55
CDK2 P24941 8/20 0.53
CDK4 P11802 5/20 0.53
CCNE1 P24864 5/20 0.53
IGF1R P08069 7/20 0.49
TYK2 P29597 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
JAK2 O60674 1/20 0.47
NCOR1 O75376 1/20 0.47
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47
BRAF P15056 2/20 0.46
EGFR P00533 2/20 0.45
ERBB2 P04626 2/20 0.45
INSR P06213 2/20 0.45
PLK4 O00444 1/20 0.45

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
SCHEMBL7976887 0.91 CDK2 (0.57) CAMK2DCDK2CDK4CCNE1IGF1R
SCHEMBL7965204 0.89 CDK2 (0.54) CAMK2DCDK2CDK4CCNE1IGF1R
SCHEMBL699037 0.88 HDAC1 (0.61) CAMK2DCDK2CDK4CCNE1IGF1R
SCHEMBL699562 0.86 CDK2 (0.73) CAMK2DCDK2CDK4CCNE1TYK2
SCHEMBL10252084 0.86 CAMK2D (0.48) CAMK2DCDK2CDK4CCNE1TYK2
SCHEMBL701224 0.84 IGF1R (0.47) CAMK2DIGF1RTYK2HDAC3HDAC1
SCHEMBL700180 0.83 CDK2 (0.49) CAMK2DCDK2CDK4CCNE1IGF1R
SCHEMBL10252007 0.82 IGF1R (0.45) CAMK2DCDK2CDK4CCNE1IGF1R
SCHEMBL699211 0.80 CAMK2D (0.46) CAMK2DCDK2TYK2HDAC3HDAC1
SCHEMBL699645 0.80 CDK2 (0.67) CAMK2DCDK2CDK4IGF1RTYK2

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 7 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
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 CAMK2D 487/4885CDK2 16/4885CDK4 15/4885

“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.