SCHEMBL3461876

SCHEMBL3461876

Nc1ncc(-c2cccc(OCCN3CCN(c4ccccc4)CC3)c2)nc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 12/20 0.46
PRKCI P41743 1/20 0.45
TYRO3 Q06418 4/20 0.45
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
PRKDC P78527 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCQ Q04759 1/20 0.43
DYRK1A Q13627 1/20 0.42

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
SCHEMBL3460685 0.91 ACVR1 (0.50) ATRTYRO3CCNE2CCNE1CDK2
SCHEMBL3460952 0.88 ATR (0.45) ATRTYRO3CCNE2CCNE1CDK2
SCHEMBL3460004 0.86 TYRO3 (0.53) ATRTYRO3PRKDC
SCHEMBL14237374 0.85 ATR (0.43) ATRTYRO3CCNE2CCNE1CDK2
SCHEMBL3460752 0.83 ATR (0.54) ATRPRKCICCNE2CCNE1CDK2
SCHEMBL3460859 0.83 TYRO3 (0.52) ATRTYRO3PRKDC
SCHEMBL3459733 0.83 TYRO3 (0.55) ATRTYRO3PRKDC
SCHEMBL3462056 0.81 CHEK1 (0.62) ATRTYRO3PRKDC
SCHEMBL3460835 0.81 TYRO3 (0.65) ATRTYRO3PRKDCDYRK1A
SCHEMBL3461146 0.79 ATR (0.68) ATRTYRO3

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 8 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
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 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 (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 556/4885PRKCI 241/4885TYRO3 790/4885

“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.