SCHEMBL188376

SCHEMBL188376

COCCN1CCN(c2ccc(N)cc2C)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
GAA P10253 2/20 0.65
RAD52 P43351 2/20 0.65
GFER P55789 1/20 0.65
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 2/20 0.56
THRB P10828 2/20 0.56
KMT2A Q03164 2/20 0.56
NR4A1 P22736 1/20 0.56
PTK2B Q14289 1/20 0.56
KDM4E B2RXH2 2/20 0.43
MAP4K4 O95819 1/20 0.43
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
HTR2A P28223 5/20 0.40
HTR7 P34969 4/20 0.40

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
SCHEMBL1813252 0.86 MAPT (0.66) MAPTGAARAD52GFERALDH1A1
SCHEMBL16391106 0.84 MAPT (0.54) MAPTGAARAD52GFERALDH1A1
SCHEMBL10036403 0.84 DRD2 (0.49) MAPTGAARAD52GFERNR4A1
SCHEMBL188923 0.82 MAPT (0.68) MAPTGAARAD52GFERALDH1A1
SCHEMBL6052407 0.82 GAA (0.60) MAPTGAARAD52GFERALDH1A1
SCHEMBL15358737 0.81 MAPT (0.81) MAPTGAARAD52GFERALDH1A1
SCHEMBL1815660 0.80 MAPT (0.97) MAPTGAARAD52GFERALDH1A1
SCHEMBL12172179 0.80 MAPT (0.65) MAPTGAARAD52GFERALDH1A1
SCHEMBL3436274 0.79 ADRA1B (0.55) ALDH1A1MEN1KMT2AHTR2AHTR7
SCHEMBL29477783 0.78 ALDH1A1 (0.71) MAPTGAARAD52GFERALDH1A1

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-8629168-B2 Benzoxazoles and oxazolopyridines being useful as janus kinases inhibitors NOVARTIS AG (CH) 2014-01-14 US disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
EP-2066647-B1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2011-11-09 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
US-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors NOVARTIS AG 2010-01-14 US disclosed
EP-2066647-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS Novartis AG (CH) 2009-06-10 EP disclosed
WO-2008031594-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2008-03-20 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-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors JAK2, JAK3, JAK1 MAPT 4446/4885GAA 2280/4885RAD52 4586/4885
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK MAPT 4723/4885GAA 3616/4885RAD52 1581/4885

“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.