SCHEMBL3462301

SCHEMBL3462301

Nc1ncc(-c2cccc(CNC(=O)Nc3ccc(F)cc3)c2)nc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 7/20 0.50
TYRO3 Q06418 5/20 0.48
ROCK2 O75116 1/20 0.47
PKN2 Q16513 1/20 0.47
NTRK1 P04629 7/20 0.45
NTRK3 Q16288 2/20 0.44
NTRK2 Q16620 2/20 0.44

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
SCHEMBL3460447 0.93 ATR (0.54) ATRTYRO3ROCK2PKN2
SCHEMBL3461263 0.93 ATR (0.50) ATRTYRO3ROCK2PKN2NTRK1
SCHEMBL3461922 0.92 ATR (0.48) ATRTYRO3ROCK2PKN2NTRK1
SCHEMBL3460302 0.91 ATR (0.48) ATRTYRO3ROCK2PKN2
SCHEMBL3460649 0.91 TYRO3 (0.45) ATRTYRO3PKN2NTRK1NTRK3
SCHEMBL3460471 0.91 ATR (0.48) ATRTYRO3ROCK2PKN2
SCHEMBL3462144 0.90 TYRO3 (0.48) ATRTYRO3ROCK2PKN2NTRK1
SCHEMBL3460381 0.90 TYRO3 (0.49) ATRTYRO3ROCK2PKN2
SCHEMBL3460049 0.88 CHRM3 (0.50) ATRTYRO3ROCK2PKN2
SCHEMBL3462542 0.88 ATR (0.46) ATRTYRO3ROCK2PKN2

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 5 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
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US 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 556/4885TYRO3 790/4885ROCK2 739/4885

“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.