SCHEMBL3460100

SCHEMBL3460100

Nc1ncc(-c2cccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)c2)nc1C(=O)N[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 12/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.47
TYRO3 Q06418 2/20 0.47
CCR2 P41597 1/20 0.44
ACVR1 Q04771 1/20 0.42
ABL1 P00519 1/20 0.42
RIPK1 Q13546 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
SCHEMBL3462165 0.91 USP30 (0.47) ATRDRD2DRD4HTR2AHTR2C
SCHEMBL14237463 0.91 ATR (0.53) ATRTYRO3ACVR1
SCHEMBL3825178 0.88 ATR (0.53) ATRDRD2DRD4HTR2AACVR1
SCHEMBL3474050 0.86 ATR (0.53) ATRTYRO3ACVR1
SCHEMBL3460799 0.85 ATR (0.52) ATRACVR1
SCHEMBL3459997 0.85 TYRO3 (0.55) ATRHTR2CTYRO3ABL1
SCHEMBL14237264 0.85 ATR (0.53) ATRTYRO3
SCHEMBL3462788 0.84 TYRO3 (0.52) ATRHTR2CTYRO3ACVR1ABL1
SCHEMBL3462166 0.84 TYRO3 (0.47) ATRHTR2CTYRO3CCR2ABL1
SCHEMBL3460934 0.83 USP30 (0.49) ATRTYRO3ACVR1

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 556/4885DRD2 1533/4885DRD4 2855/4885

“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.