SCHEMBL3604776

SCHEMBL3604776

c1cc(-c2nc(CNCCc3c[nH]cn3)cc(N3CCOCC3)n2)c2cc[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 14/20 0.59
PIK3CA P42336 11/20 0.59
MTOR P42345 6/20 0.59
PRKDC P78527 1/20 0.59
PIK3CD O00329 5/20 0.44
PIK3CB P42338 5/20 0.44
PIK3CG P48736 5/20 0.44
ATRIP Q8WXE1 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
SCHEMBL3602877 0.86 ATR (0.63) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3608878 0.86 ATR (0.65) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3606344 0.83 ATR (0.65) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3600426 0.82 ATR (0.66) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL19146366 0.78 ATR (0.77) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3608310 0.78 PIK3CA (0.61) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3596231 0.77 CYP1A2 (0.38) PIK3CAPIK3CBPIK3CG
SCHEMBL3603778 0.76 ATR (0.73) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3610628 0.76 ATR (0.64) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL29397370 0.75 ATR (0.66) ATRPIK3CAMTORPRKDCPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US claimed
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc (KR) 2010-02-25 US claimed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP claimed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO claimed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc (KR) 2010-02-25 US disclosed
EP-2118081-A2 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc., (KR) 2009-11-18 EP disclosed
WO-2008087560-A2 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF KAINOS MEDICINE, INC., (US) 2008-07-24 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 ATR 957/4885PIK3CA 1/4885MTOR 14/4885
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF DPP4, DPP3, DPP7 ATR 4097/4885PIK3CA 918/4885MTOR 1629/4885

“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.