SCHEMBL700320

SCHEMBL700320

COc1ccn2c(-c3ccnc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C(F)(F)F)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.53
IGF1R P08069 4/20 0.52
JAK2 O60674 1/20 0.49
HDAC3 O15379 3/20 0.46
HDAC2 Q92769 3/20 0.46
ABL1 P00519 2/20 0.46
PDGFRB P09619 2/20 0.46
KDR P35968 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
INSR P06213 1/20 0.44
NCOR1 O75376 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
SCHEMBL10252137 0.90 HDAC1 (0.55) HDAC1IGF1RJAK2HDAC3HDAC2
SCHEMBL700171 0.89 HDAC1 (0.62) HDAC1IGF1RJAK2HDAC3HDAC2
SCHEMBL699978 0.88 HDAC1 (0.53) HDAC1JAK2HDAC3HDAC2ABL1
SCHEMBL699037 0.88 HDAC1 (0.61) HDAC1IGF1RJAK2HDAC3HDAC2
SCHEMBL699905 0.88 HDAC1 (0.54) HDAC1JAK2HDAC3HDAC2ABL1
SCHEMBL701224 0.88 IGF1R (0.47) HDAC1IGF1RJAK2HDAC3HDAC2
SCHEMBL700356 0.86 IGF1R (0.44) HDAC1IGF1REGFRERBB2INSR
SCHEMBL12790458 0.86 CSNK2A1 (0.44) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL700422 0.86 HDAC1 (0.53) HDAC1JAK2HDAC3HDAC2ABL1
SCHEMBL7974201 0.85 IGF1R (0.46) IGF1RABL1EGFRERBB2INSR

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 6 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
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 HDAC1 1/4885IGF1R 1719/4885JAK2 745/4885

“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.