SCHEMBL3462783

SCHEMBL3462783

Nc1ncc(-c2cccc(CNC(=O)c3ccc(I)cc3)c2)nc1-c1nc([C@H]2CCCNC2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.43
ATR Q13535 3/20 0.42
CHEK2 O96017 2/20 0.40
MET P08581 2/20 0.40
ACP1 P24666 1/20 0.38

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
SCHEMBL3460543 0.93 MAPK1 (0.43) MAPK1ATRCHEK2MET
SCHEMBL3462829 0.90 MAPK1 (0.44) MAPK1ATR
SCHEMBL3462636 0.87 NTRK1 (0.44) MAPK1ATRMET
SCHEMBL3461957 0.86 WDR5 (0.42) MAPK1ATRCHEK2MET
SCHEMBL3462191 0.86 MAPK1 (0.45) MAPK1ATRCHEK2MET
Hydrochloric Acid SCHEMBL3460920 0.86 MAPK1 (0.44) MAPK1ATRCHEK2MET
SCHEMBL3466872 0.85 MAPK1 (0.41) MAPK1
SCHEMBL3461567 0.85 MAPK1 (0.50) MAPK1
SCHEMBL3461568 0.85 NTRK1 (0.40) MAPK1ATRCHEK2MET
SCHEMBL3461738 0.84 MAPK1 (0.43) MAPK1ATR

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 MAPK1 161/4885ATR 556/4885CHEK2 61/4885

“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.