SCHEMBL3460175

SCHEMBL3460175

COc1ccc(NN=C(C)c2nc(-c3cccc(C(=O)NCc4ccccc4)c3)cnc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.52
PRKDC P78527 2/20 0.52
SENP1 Q9P0U3 2/20 0.48
TP53 P04637 2/20 0.47
AURKA O14965 1/20 0.46
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
HPGDS O60760 1/20 0.46
ROCK2 O75116 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL3460173 1.00 ATR (0.52) ATRPRKDCSENP1TP53AURKA
SCHEMBL3461024 0.93 ATR (0.57) ATRPRKDCLDHALDHB
SCHEMBL3461031 0.93 ATR (0.57) ATRPRKDCLDHALDHB
SCHEMBL3461249 0.91 ATR (0.52) ATRPRKDCLDHALDHB
SCHEMBL3461245 0.91 ATR (0.52) ATRPRKDCLDHALDHB
SCHEMBL3462343 0.91 ATR (0.53) ATRPRKDCLDHALDHB
SCHEMBL3462344 0.91 ATR (0.53) ATRPRKDCLDHALDHB
SCHEMBL3460057 0.91 HTR2C (0.51) ATRPRKDCLDHALDHB
SCHEMBL3460060 0.91 HTR2C (0.51) ATRPRKDCLDHALDHB
SCHEMBL3462040 0.90 ATR (0.51) ATRPRKDCLDHALDHBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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 (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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 ATR 556/4885PRKDC 124/4885SENP1 2571/4885

“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.