SCHEMBL3578632

SCHEMBL3578632

[CH2]n1nnc(-c2ccc(OC)nc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CYP2A6 P11509 2/20 0.46
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
KDR P35968 5/20 0.42
TEK Q02763 3/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
FYN P06241 1/20 0.40
NAAA Q02083 1/20 0.40
JAK2 O60674 1/20 0.39
PIK3CD O00329 1/20 0.39
PIP5K1C O60331 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL3578635 0.86 MKNK1 (0.45) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL3754419 0.77 CYP2A6 (0.68) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL31174412 0.77 CYP2A6 (0.68) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL6248308 0.77 LTA4H (0.58)
SCHEMBL3585642 0.76 PIK3CD (0.46) CYP2A6PIK3CD
SCHEMBL1422543 0.71 CLK4 (0.57) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL6291372 0.71 MKNK1 (0.57) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL13575351 0.71 MKNK1 (0.57) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL1423797 0.69 CYP2A6 (0.50) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL1422182 0.69 HSD17B1 (0.67) MKNK1MKNK2CYP2A6HSD17B1HSD17B2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MKNK1 1501/4885MKNK2 1736/4885CYP2A6 930/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MKNK1 1501/4885MKNK2 1736/4885CYP2A6 930/4885

“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.