Sugi Predict

Sugi Predict / Compounds / SCHEMBL699825

SCHEMBL699825

SCHEMBL699825

Cc1nc2cc(N3CCOCC3)ccn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.69
▸ HDAC1 Q13547 14/20 0.57
▸ HDAC3 O15379 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ IGF1R P08069 3/20 0.51
▸ EGFR P00533 2/20 0.51
▸ ERBB2 P04626 2/20 0.51
▸ TYK2 P29597 3/20 0.49
▸ JAK1 P23458 2/20 0.49
▸ JAK3 P52333 2/20 0.49
▸ NCOR1 O75376 1/20 0.49
▸ LCK P06239 2/20 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
SCHEMBL701985 0.86 JAK2 (0.56) JAK2HDAC1IGF1REGFRERBB2
SCHEMBL700958 0.86 HDAC1 (0.60) JAK2HDAC1IGF1RJAK1
SCHEMBL699059 0.86 JAK2 (0.54) JAK2HDAC1HDAC3HDAC2HDAC8
SCHEMBL700020 0.85 HDAC1 (0.64) JAK2HDAC1HDAC3HDAC2HDAC8
SCHEMBL699145 0.84 HDAC1 (0.79) JAK2HDAC1CDK2
SCHEMBL698997 0.84 HDAC1 (0.62) JAK2HDAC1HDAC3HDAC2HDAC8
SCHEMBL700171 0.84 HDAC1 (0.62) JAK2HDAC1HDAC3HDAC2HDAC8
SCHEMBL700586 0.83 HDAC1 (0.61) JAK2HDAC1HDAC3HDAC2HDAC8
SCHEMBL699883 0.83 HDAC1 (0.61) JAK2HDAC1HDAC3HDAC2HDAC8
SCHEMBL699851 0.83 HDAC1 (0.57) JAK2HDAC1HDAC3HDAC2HDAC8

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 8 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

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 1/4885HDAC3 17/4885

“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.