Sugi Predict

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SCHEMBL560599

SCHEMBL560599

Cc1ccc2nc(-c3nc(C(=O)NCCc4ccccc4)cnc3N)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.61
▸ MMP9 P14780 4/20 0.61
▸ MMP8 P22894 4/20 0.61
▸ ATR Q13535 9/20 0.53
▸ CNR1 P21554 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MMP13 P45452 2/20 0.49
▸ MMP3 P08254 1/20 0.48
▸ FLT3 P36888 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 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) MMP2MMP9MMP8ATRRAB9A
SCHEMBL10166538 0.88 ATR (0.57) MMP2MMP9MMP8ATRCNR1
SCHEMBL560594 0.86 ATR (0.55) MMP2MMP9MMP8ATRCNR1
SCHEMBL560628 0.84 ATR (0.54) MMP2MMP9MMP8ATRCNR1
SCHEMBL560801 0.84 ATR (0.54) MMP2MMP9MMP8ATRCNR1
SCHEMBL560367 0.84 POLB (0.51) MMP2MMP9MMP8ATRNPC1
SCHEMBL560593 0.84 MMP2 (0.58) MMP2MMP9MMP8ATRCNR1
SCHEMBL560220 0.84 ATR (0.53) MMP2MMP9MMP8ATRNPC1
SCHEMBL560124 0.83 ATR (0.52) MMP2MMP9MMP8ATRMMP13
SCHEMBL560074 0.83 ATR (0.52) MMP2MMP9MMP8ATRMMP13

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 MMP2 4673/4885MMP9 4711/4885MMP8 4670/4885

“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.