SCHEMBL930960

SCHEMBL930960

COCc1ccc(C)c(C#N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPK1 P28482 2/20 0.37
GAA P10253 4/20 0.37
HSD17B10 Q99714 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3G Q9HC16 2/20 0.34
ALOX15 P16050 1/20 0.34
S1PR4 O95977 1/20 0.34
MBOAT4 Q96T53 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL2159954 0.81 MBOAT4 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL15643418 0.81 MBOAT4 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL2959006 0.79 ALDH1A1 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL929492 0.78 CCR1 (0.42) ALDH1A1MAPTMEN1KMT2AMBOAT4
SCHEMBL2953123 0.78 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL25786895 0.78 MEN1 (0.37) KDM4EALDH1A1MAPTHTTMEN1
SCHEMBL929809 0.78 HTR2A (0.42) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL28344631 0.76 HSD17B10 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL15691423 0.75 ALDH1A1 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10647517 0.75 NOS3 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2MAPT

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 KDM4E 3444/4885ALDH1A1 562/4885HPGD 982/4885

“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.