SCHEMBL2289712

SCHEMBL2289712

C1CNCC(CN2CCNCC2)[N]1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11555193 0.89 CHRM5 (0.33)
SCHEMBL945748 0.87 CHRM5 (0.36)
SCHEMBL5157997 0.84 GAA (0.31)
SCHEMBL5488980 0.79 CHRM5 (0.32) CXCR4
SCHEMBL1233220 0.73
SCHEMBL947556 0.70 CXCR4 (0.39) CXCR4
SCHEMBL947501 0.69 CXCR4 (0.38) CXCR4SMN1; SMN2
SCHEMBL948954 0.69
SCHEMBL459100 0.69
SCHEMBL1461637 0.67 CYP2B6 (0.44) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US claimed
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 US disclosed
US-20160130256-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2016-05-12 US disclosed
US-9024041-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-05-05 US disclosed
EP-2556065-B1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2014-12-17 EP disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
EP-2556065-A1 PYRAZOLE P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
EP-2556068-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 US disclosed
WO-2011124930-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-13 WO disclosed
WO-2011121366-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-06 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 (6 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-20170362208-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R CXCR4 138/4885POLB 1255/4885SMN1; SMN2 3419/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 CXCR4 705/4885POLB 859/4885SMN1; SMN2 4182/4885
US-20160130256-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R CXCR4 138/4885POLB 1255/4885SMN1; SMN2 3419/4885
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 CXCR4 847/4885POLB 902/4885SMN1; SMN2 4102/4885
US-20130040962-A1 P38 MAP Kinase Inhibitors MAPK15, MAPK1, MAP3K15 CXCR4 1261/4885POLB 1398/4885SMN1; SMN2 4311/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CXCR4 529/4885POLB 4560/4885SMN1; SMN2 4384/4885

“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.