Sugi Predict

Sugi Predict / Compounds / SCHEMBL4283965

SCHEMBL4283965

SCHEMBL4283965

c1cc(-c2ncc3cc[nH]c3n2)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 2/20 0.36
▸ NUDT1 P36639 1/20 0.36
▸ MAPK1 P28482 9/20 0.34
▸ CDK8 P49336 2/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ RIPK1 Q13546 3/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ FGFR1 P11362 1/20 0.32
▸ KDR P35968 1/20 0.32

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
SCHEMBL15348641 0.78 MAPK1 (0.35) AXLNUDT1MAPK1CDK8ALOX5AP
SCHEMBL4913998 0.74 CYP1A2 (0.45) —
SCHEMBL29605939 0.74 CYP1A2 (0.45) —
SCHEMBL30352947 0.73 CDK8 (0.54) AXLNUDT1MAPK1CDK8ALOX5AP
SCHEMBL2420410 0.72 — —
SCHEMBL844875 0.72 MAPK1 (0.53) AXLNUDT1MAPK1CDK8ALOX5AP
SCHEMBL4280303 0.71 AXL (0.40) AXLNUDT1MAPK1CDK8ALOX5AP
SCHEMBL20508757 0.71 PIK3CD (0.56) AXLNUDT1MAPK1CDK8ALOX5AP
SCHEMBL183276 0.71 ALDH1A1 (0.46) —
SCHEMBL28408851 0.71 KDM4E (0.33) —

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 5 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-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-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

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 AXL 1287/4885NUDT1 636/4885MAPK1 292/4885
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 AXL 1287/4885NUDT1 636/4885MAPK1 292/4885
US-20090227607-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 AXL 1287/4885NUDT1 636/4885MAPK1 292/4885
US-20120316186-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 AXL 1287/4885NUDT1 636/4885MAPK1 292/4885

“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.