Sugi Predict

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SCHEMBL615777

SCHEMBL615777

Cc1ccc2nc(-c3nc(N4CCNC(=O)CC4)cnc3N)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 13/20 0.51
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ CBFB Q13951 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ PKM P14618 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GFER P55789 1/20 0.38

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
SCHEMBL617150 0.91 ATR (0.51) ATRNPC1RAB9AMAPTKDM4E
SCHEMBL617502 0.89 ATR (0.52) ATRNPC1RAB9AMAPTKDM4E
SCHEMBL617509 0.82 ATR (0.54) ATRNPC1RAB9AMAPTKDM4E
SCHEMBL614403 0.82 ATR (0.49) ATRNPC1RAB9AMAPTKDM4E
SCHEMBL614738 0.82 ATR (0.56) ATRNPC1RAB9AMAPTKDM4E
SCHEMBL614404 0.82 ATR (0.51) ATRNPC1RAB9AMAPTKDM4E
SCHEMBL617420 0.82 METAP2 (0.51) ATRNPC1RAB9AMAPTKDM4E
SCHEMBL10290345 0.81 ATR (0.51) ATRNPC1RAB9AMAPTKDM4E
SCHEMBL617182 0.81 ATR (0.59) ATRMAPT
SCHEMBL615037 0.81 ATR (0.57) ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-24 — — US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US disclosed
EP-2370424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2011-10-05 — — EP disclosed
WO-2010054398-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-14 — — 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 (2 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-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 ATR 1/4885NPC1 4100/4885RAB9A 2267/4885
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 ATR 1/4885NPC1 4100/4885RAB9A 2267/4885

“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.