SCHEMBL4263555

SCHEMBL4263555

[CH2]C1CCN(CCC(=O)OC)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.66
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 2/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CACNA1C Q13936 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL12881363 0.84 SMN1; SMN2 (0.64) SMN1; SMN2POLBHTTTP53TSHR
SCHEMBL8485788 0.84 SMN1; SMN2 (0.68) SMN1; SMN2POLBHTTTP53TSHR
SCHEMBL5231802 0.84 SMN1; SMN2 (0.68) SMN1; SMN2POLBHTTTP53TSHR
SCHEMBL4489670 0.82 SMN1; SMN2 (0.65) SMN1; SMN2TP53TSHRALDH1A1KDM4E
SCHEMBL1174392 0.82
SCHEMBL8554604 0.82 SMN1; SMN2 (0.71) SMN1; SMN2POLBHTTTP53TSHR
SCHEMBL6740019 0.81 SMN1; SMN2 (0.44) SMN1; SMN2POLBTSHRALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7588216 0.81 SMN1; SMN2 (0.69) SMN1; SMN2POLBHTTTP53TSHR
SCHEMBL14609741 0.81 SMN1; SMN2 (0.64) SMN1; SMN2POLBHTTTP53TSHR
SCHEMBL10036920 0.79 SMN1; SMN2 (0.62) SMN1; SMN2POLBHTTTP53TSHR

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
EP-1565475-B1 DIAZINOPYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-08 EP disclosed
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-20050261284-A1 Diazinopyrimidines CHEN JIAN J 2005-11-24 US disclosed
US-6943158-B2 Diazinopyrimidines ROCHE PALO ALTO LLC (US) 2005-09-13 US disclosed
CN-1171889-C Heteroalkylamino-substituted bicyclic nitrogen heterocycles as inhibitors of P38 protein kinase - 2004-10-20 CN disclosed
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions HOFFMANN-LA ROCHE INC. 2004-05-20 US disclosed
CN-1382144-A Heteroalkylamino-substituted bicyclic nitrogen heterocycles as inhibitors of P38 protein kinase HOFFMANN LA ROCHE (CH) 2002-11-27 CN disclosed
EP-1228070-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-08-07 EP disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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-20050261284-A1 Diazinopyrimidines MAPK6, MAPK1, MAP2K6 SMN1; SMN2 4101/4885POLB 3111/4885HTT 2097/4885
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions FGFR1, MAPK1, FGF1 SMN1; SMN2 846/4885POLB 3135/4885HTT 2319/4885

“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.