Sugi Predict

Sugi Predict / Compounds / SCHEMBL701985

SCHEMBL701985

SCHEMBL701985

Cc1nc2cc(C(=O)NCCN3CCOCC3)ccn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.56
▸ HDAC1 Q13547 13/20 0.55
▸ AURKA O14965 2/20 0.53
▸ AURKB Q96GD4 2/20 0.53
▸ KIT P10721 2/20 0.50
▸ FLT3 P36888 2/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ IGF1R P08069 2/20 0.49
▸ IKBKB O14920 1/20 0.47
▸ CHUK O15111 1/20 0.47
▸ IKBKG Q9Y6K9 1/20 0.47
▸ PLK4 O00444 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ PAK4 O96013 1/20 0.45
▸ CHEK2 O96017 1/20 0.45
▸ EGFR P00533 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
SCHEMBL703631 0.91 JAK2 (0.57) JAK2HDAC1AURKAAURKBKIT
SCHEMBL701690 0.88 AURKA (0.52) JAK2HDAC1AURKAAURKBKIT
SCHEMBL700958 0.88 HDAC1 (0.60) JAK2HDAC1MAPK14IGF1R
SCHEMBL700712 0.87 HDAC1 (0.59) JAK2HDAC1AURKAAURKBKDR
SCHEMBL12790385 0.87 MAPK14 (0.48) HDAC1AURKAAURKBKITFLT3
SCHEMBL658254 0.87 HDAC1 (0.48) HDAC1MAPK14
SCHEMBL700335 0.87 HDAC1 (0.58) JAK2HDAC1AURKAAURKBKIT
SCHEMBL699825 0.86 JAK2 (0.69) JAK2HDAC1AURKAAURKBKIT
SCHEMBL700020 0.84 HDAC1 (0.64) JAK2HDAC1KITCSF1RFGFR1
SCHEMBL699851 0.83 HDAC1 (0.57) JAK2HDAC1KITCSF1RFGFR1

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 9 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-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
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 JAK2 745/4885HDAC1 1/4885AURKA 123/4885

“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.