SCHEMBL701690

SCHEMBL701690

Cc1nc2cc(C(=O)NCCN3CCOCC3)ccn2c1-c1ccnc(Nc2ccc(C(=O)NO)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
JAK2 O60674 5/20 0.51
JAK3 P52333 3/20 0.51
JAK1 P23458 2/20 0.51
TYK2 P29597 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC3 O15379 1/20 0.51
NCOR1 O75376 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48
IKBKG Q9Y6K9 1/20 0.48
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48
SYK P43405 4/20 0.48

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
SCHEMBL700078 0.90 AURKA (0.53) AURKAAURKBJAK2JAK3JAK1
SCHEMBL701985 0.88 JAK2 (0.56) AURKAAURKBJAK2TYK2HDAC1
SCHEMBL703004 0.87 HDAC1 (0.51) AURKAAURKBJAK2JAK3JAK1
SCHEMBL703085 0.85 BRAF (0.49) AURKAAURKBJAK2JAK3JAK1
SCHEMBL3352574 0.85 POLB (0.43) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL701721 0.82 CDK2 (0.55) AURKAJAK2JAK3JAK1TYK2
SCHEMBL12790392 0.81 LMNA (0.49) PDGFRBPDGFRAKITFLT3PRKD3
SCHEMBL700913 0.81 CDK2 (0.51) AURKBJAK2JAK3JAK1TYK2
SCHEMBL699629 0.80 CDK2 (0.51) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL700072 0.79 SYK (0.49) JAK2JAK3JAK1TYK2HDAC1

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 AURKA 123/4885AURKB 74/4885JAK2 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.