SCHEMBL929809

SCHEMBL929809

Cc1ccc(COCC2CC2)nc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MBOAT4 Q96T53 3/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
ADORA2A P29274 2/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
XDH P47989 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
FASN P49327 1/20 0.31
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 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
SCHEMBL930960 0.78 KDM4E (0.40) MBOAT4ALDH1A1KDM4ERAB9AGAA
SCHEMBL928988 0.77 HTR2A (0.42) HTR2AHTR2CHTR2BFFAR4ADORA2A
SCHEMBL2959006 0.72 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2FASNHPGD
SCHEMBL2953123 0.71 ALDH1A1 (0.34) MBOAT4CTSKALDH1A1SMN1; SMN2MAPT
SCHEMBL929492 0.71 CCR1 (0.42) MBOAT4CTSKALDH1A1MAPT
SCHEMBL25786895 0.71 MEN1 (0.37) MBOAT4CTSKALDH1A1KDM4ELMNA
SCHEMBL24063931 0.69 ADORA2A (0.46) HTR2AHTR2CHTR2BFFAR4ADORA2A
SCHEMBL19773347 0.66 ALDH1A1 (0.38) HTR2AHTR2CHTR2BFFAR4ADORA2A
SCHEMBL19511244 0.66 FFAR4 (0.42) HTR2AHTR2CHTR2BMBOAT4FFAR4
SCHEMBL19510852 0.66 PKM (0.40) HTR2AHTR2CHTR2BFFAR4ALDH1A1

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
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 (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-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 HTR2A 36/4885HTR2C 21/4885HTR2B 58/4885

“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.