Sugi Predict

Sugi Predict / Compounds / SCHEMBL560098

SCHEMBL560098

SCHEMBL560098

Cc1ccc2nc(-c3nc(Oc4ccccc4)cnc3N)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 8/20 0.53
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ CHEK2 O96017 3/20 0.47
▸ METAP2 P50579 1/20 0.47
▸ METAP1 P53582 1/20 0.47
▸ CBFB Q13951 1/20 0.47
▸ PKM P14618 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ PDGFRB P09619 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ HTT P42858 2/20 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
SCHEMBL560062 0.96 ATR (0.49) ATRNPC1RAB9AMAPTALDH1A1
SCHEMBL10165965 0.92 ATR (0.52) ATRNPC1RAB9AMAPTALDH1A1
SCHEMBL561015 0.90 ATR (0.52) ATRNPC1RAB9AMAPTALDH1A1
SCHEMBL560431 0.89 ATR (0.49) ATRNPC1RAB9AMAPTALDH1A1
SCHEMBL560755 0.89 ATR (0.51) ATRNPC1RAB9AMAPTALDH1A1
SCHEMBL559946 0.89 ATR (0.51) ATRNPC1RAB9AMAPTALDH1A1
SCHEMBL561073 0.88 CHEK2 (0.54) ATRCHEK2
SCHEMBL561026 0.86 ATR (0.50) ATRNPC1RAB9AMAPTALDH1A1
SCHEMBL559766 0.86 ATR (0.63) ATRNPC1RAB9AALDH1A1KDM4E
SCHEMBL560535 0.86 ATR (0.52) ATRMAPTALDH1A1SMN1; SMN2HPGD

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 ATR 1/4885NPC1 4143/4885RAB9A 3156/4885

“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.