Sugi Predict

Sugi Predict / Compounds / SCHEMBL13695708

SCHEMBL13695708

SCHEMBL13695708

CCCNC(=O)C(C)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.58
▸ JAK1 P23458 10/20 0.58
▸ HDAC6 Q9UBN7 10/20 0.58
▸ HDAC1 Q13547 7/20 0.58
▸ JAK3 P52333 6/20 0.58
▸ TYK2 P29597 5/20 0.58
▸ HDAC3 O15379 2/20 0.58
▸ HDAC2 Q92769 2/20 0.58
▸ HDAC10 Q969S8 2/20 0.58
▸ HDAC8 Q9BY41 2/20 0.58
▸ HDAC5 Q9UQL6 2/20 0.58
▸ NCOR2 Q9Y618 2/20 0.58
▸ HDAC9 Q9UKV0 1/20 0.58
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ DAPK3 O43293 2/20 0.48
▸ PAK4 O96013 2/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ RET P07949 2/20 0.48
▸ LTK P29376 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
SCHEMBL13695699 0.89 JAK2 (0.55) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL13695702 0.89 JAK2 (0.55) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL13695703 0.89 JAK2 (0.55) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL13695692 0.89 JAK2 (0.58) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL13695698 0.88 JAK2 (0.58) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL13695701 0.87 JAK2 (0.55) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL13695709 0.86 JAK2 (0.65) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL13695696 0.85 JAK2 (0.59) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL100036 0.85 JAK2 (0.55) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL13695707 0.85 JAK2 (0.58) JAK2JAK1HDAC6HDAC1JAK3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-23 — — US disclosed
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-23 — — US disclosed
US-8741912-B2 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 — — US disclosed
US-8741912-B2 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 — — US disclosed
US-20120316186-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-12-13 — — US disclosed
US-20120316186-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-12-13 — — US disclosed
US-20090227607-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 — — US disclosed
US-20090227607-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 — — US disclosed
US-20090088445-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-04-02 — — US disclosed
US-20090088445-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-04-02 — — US disclosed
WO-2007117494-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 — — 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 (4 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-20090088445-A1 Deazapurines useful as inhibitors of Janus kinases JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885HDAC6 618/4885
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885HDAC6 618/4885
US-20090227607-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885HDAC6 618/4885
US-20120316186-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885HDAC6 618/4885

“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.