SCHEMBL930276

SCHEMBL930276

Cc1ccc(CN)c(N(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.33
RAB9A P51151 1/20 0.33
CCR5 P51681 1/20 0.33
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ADRB2 P07550 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL15831896 0.81 HTT (0.33) CCR1RAB9ACCR5MAPTALDH1A1
SCHEMBL15831887 0.79 PDE5A (0.39) MAPTALDH1A1MEN1KMT2A
SCHEMBL12409791 0.79 PTK2 (0.43)
Hydrochloric Acid SCHEMBL5008213 0.78 TUBB4A (0.39)
SCHEMBL15831895 0.78 ALOX15 (0.35) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL15831900 0.78 LATS1 (0.36) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL27360658 0.76 TYR (0.37) MAPTMEN1KMT2ANOS2
SCHEMBL2523385 0.74 TRPV1 (0.39) MAPTALDH1A1KDM4E
SCHEMBL4325085 0.74 CCR1 (0.39) CCR1RAB9ACCR5ALDH1A1KDM4E
SCHEMBL13209499 0.72 NOS3 (0.38) CCR1RAB9ACCR5MAPTALDH1A1

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-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 US disclosed
US-7875600-B2 Pyrimidine compounds as purine receptor antagonist VERNALIS (R&D) LIMITED (GB) 2011-01-25 US disclosed
US-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide VERNALIS (R & D ) LIMITED (GB) 2007-12-06 US disclosed
EP-1720553-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R&D) LTD (GB) 2006-11-15 EP disclosed
WO-2005079801-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R & D) LTD (GB) 2005-09-01 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-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 CCR1 943/4885RAB9A 1976/4885CCR5 354/4885
US-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide ADORA2A, ADORA3, ADORA1 CCR1 1140/4885RAB9A 723/4885CCR5 564/4885

“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.