SCHEMBL930107

SCHEMBL930107

COCc1ccc(C)c(CN)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLB P06746 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL5630218 0.82 NOS3 (0.33)
SCHEMBL10647517 0.76 NOS3 (0.41) S1PR4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL928988 0.76 HTR2A (0.42) HTR2AHTR2CHTR2B
SCHEMBL929424 0.71 KDM4E (0.43) S1PR4KDM4EALDH1A1HPGDLMNA
SCHEMBL537491 0.71 KCNH2 (0.44) S1PR4LMNAMAPTPOLB
SCHEMBL930960 0.69 KDM4E (0.40) S1PR4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9550990 0.68 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL27741994 0.68 S1PR4 (0.42) S1PR4KDM4EALDH1A1LMNAPIK3CD
SCHEMBL12934611 0.67 S1PR4 (0.40) S1PR4KDM4EALDH1A1HPGDPIK3CD
SCHEMBL930346 0.67 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTPOLB

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 S1PR4 1018/4885KDM4E 3444/4885ALDH1A1 562/4885

“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.