Sugi Predict

Sugi Predict / Compounds / SCHEMBL617643

SCHEMBL617643

SCHEMBL617643

Nc1ncc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 12/20 0.53
▸ PRKDC P78527 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ LMNA P02545 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL614468 0.89 ATR (0.51) ATRPRKDCATMKMT2ALMNA
SCHEMBL615212 0.89 ATR (0.49) ATRPRKDCATM
SCHEMBL614405 0.88 ATR (0.55) ATRPRKDCATMMAPTKDM4E
SCHEMBL618723 0.88 ATR (0.55) ATRPRKDCATM
SCHEMBL616876 0.86 KDM4E (0.51) ATRPRKDCATMKMT2AMEN1
SCHEMBL617684 0.85 ATR (0.51) ATRPRKDCATM
SCHEMBL618574 0.85 ATR (0.52) ATRPRKDCATM
SCHEMBL617490 0.85 ATR (0.52) ATRPRKDCATM
SCHEMBL617860 0.84 ATR (0.52) ATRPRKDCATMHSD17B10KDM4E
SCHEMBL617205 0.84 ATR (0.50) ATRPRKDCATMLMNAPKM

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 7 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

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 1/4885PRKDC 6/4885ATM 4/4885
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 ATR 1/4885PRKDC 6/4885ATM 4/4885

“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.