Sugi Predict

Sugi Predict / Compounds / SCHEMBL560367

SCHEMBL560367

SCHEMBL560367

Cc1ccc2nc(-c3nc(C(=O)NCc4cccnc4)cnc3N)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ ATR Q13535 6/20 0.48
▸ MMP13 P45452 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 2/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ PRKD2 Q9BZL6 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43

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
SCHEMBL560651 0.91 ATR (0.53) ATRMMP13LMNARAB9AHTT
SCHEMBL559632 0.86 ATR (0.49) POLBATRLMNATP53FLT3
SCHEMBL559719 0.85 RAB9A (0.48) POLBATRMMP13LMNANPC1
SCHEMBL561267 0.84 CYP1A2 (0.49) POLBATRMMP13TP53RAB9A
SCHEMBL560599 0.84 MMP2 (0.61) ATRMMP13NPC1RAB9AFLT3
SCHEMBL560371 0.82 POLB (0.54) POLBATRLMNANPC1TP53
SCHEMBL560220 0.82 ATR (0.53) POLBATRMMP13NPC1RAB9A
SCHEMBL10166538 0.82 ATR (0.57) POLBATRFLT3HPGDALDH1A1
SCHEMBL560124 0.82 ATR (0.52) POLBATRMMP13FLT3HPGD
SCHEMBL560074 0.82 ATR (0.52) POLBATRMMP13FLT3HPGD

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-8962631-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 — — US disclosed
US-8962631-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 — — US disclosed
US-8962631-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 — — US disclosed
EP-2569289-A1 PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
US-20120035407-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 — — US disclosed
US-20120035407-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 — — US disclosed
US-20120035407-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 — — US disclosed
WO-2011143419-A1 PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — 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-20120035407-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 POLB 770/4885ATR 1/4885MMP13 4821/4885

“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.