SCHEMBL2994974

SCHEMBL2994974

CN1CCN(CCCNC(=O)c2ccc(Cl)c(NC3=NC(=O)/C(=C/c4ccc5ncccc5c4)S3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2A P28223 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
ADRA1B P35368 1/20 0.48
KCNH2 Q12809 1/20 0.48
RAD52 P43351 7/20 0.44
KMT2A Q03164 7/20 0.44
KDM4E B2RXH2 4/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 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
SCHEMBL2994980 1.00 DRD3 (0.48) DRD3HTR1AADRA2AADRA2BADRA2C
Trifluoroacetic Acid SCHEMBL4084123 0.95 DRD3 (0.46) DRD3HTR1AADRA2AADRA2BADRA2C
Trifluoroacetic Acid SCHEMBL4084120 0.95 DRD3 (0.46) DRD3HTR1AADRA2AADRA2BADRA2C
SCHEMBL2985922 0.93 HTR1A (0.47) DRD3HTR1AADRA2AADRA2BADRA2C
SCHEMBL2985924 0.93 HTR1A (0.47) DRD3HTR1AADRA2AADRA2BADRA2C
SCHEMBL3637855 0.90 PLD2 (0.43) DRD3HTR1AADRA2AADRA2BADRA2C
SCHEMBL3637858 0.90 PLD2 (0.43) DRD3HTR1AADRA2AADRA2BADRA2C
SCHEMBL3644636 0.90 KMT2A (0.44) DRD3HTR1AADRA2AADRA2BADRA2C
SCHEMBL2993819 0.90 KMT2A (0.44) DRD3HTR1AADRA2AADRA2BADRA2C
SCHEMBL2992912 0.88 KMT2A (0.44) DRD3HTR1AADRA2AADRA2BADRA2C

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
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 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 (2 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-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 DRD3 942/4885HTR1A 39/4885ADRA2A 295/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 DRD3 4369/4885HTR1A 4009/4885ADRA2A 4582/4885

“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.