SCHEMBL3461992

SCHEMBL3461992

CNC(=O)c1nc(-c2cccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c2)cnc1NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.62
DRD4 P21917 15/20 0.62
HTR2A P28223 4/20 0.55
MCHR1 Q99705 3/20 0.49
RIPK1 Q13546 1/20 0.49
ATR Q13535 1/20 0.48

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
SCHEMBL3460193 0.94 DRD4 (0.57) DRD2DRD4HTR2AMCHR1
SCHEMBL3820169 0.94 DRD4 (0.57) DRD2DRD4HTR2AMCHR1
SCHEMBL3460276 0.90 MCHR1 (0.57) DRD2DRD4HTR2AMCHR1
SCHEMBL3854251 0.90 MCHR1 (0.57) DRD2DRD4HTR2AMCHR1
SCHEMBL4251697 0.88 DRD2 (0.65) DRD2DRD4HTR2AMCHR1RIPK1
SCHEMBL3462081 0.88 DRD2 (0.65) DRD2DRD4HTR2AMCHR1RIPK1
SCHEMBL3461007 0.88 DRD2 (0.65) DRD2DRD4HTR2AMCHR1RIPK1
SCHEMBL3462402 0.83 ATR (0.67) DRD2DRD4ATR
SCHEMBL3460932 0.82 DRD2 (0.50) DRD2DRD4HTR2ARIPK1ATR
SCHEMBL3460812 0.79 ATR (0.57) DRD2DRD4HTR2ARIPK1ATR

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 9 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-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US 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 DRD2 1533/4885DRD4 2855/4885HTR2A 128/4885

“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.