SCHEMBL2730004

SCHEMBL2730004

CCNC1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.51
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.49
JAK2 O60674 2/20 0.48
JAK1 P23458 2/20 0.48
TYK2 P29597 2/20 0.48
JAK3 P52333 2/20 0.48
USP30 Q70CQ3 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
F13A1 P00488 2/20 0.47
TGM2 P21980 2/20 0.47
TGM1 P22735 2/20 0.47
PDE4B Q07343 1/20 0.47
HSD11B1 P28845 1/20 0.47
DPP4 P27487 1/20 0.47

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
SCHEMBL10228212 1.00 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MAPK1
SCHEMBL29267116 0.93 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2729787 0.92 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MAPK1
SCHEMBL15134851 0.88 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MAPK1
SCHEMBL5164859 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MAPK1
SCHEMBL2729426 0.87 TAAR1 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MAPK1
SCHEMBL7888756 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MAPK1
SCHEMBL13434236 0.87 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MAPK1
SCHEMBL13434233 0.87 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MAPK1
SCHEMBL4893813 0.86 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MAPK1

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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed
US-20130345192-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2013-12-26 US disclosed
EP-2632898-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS Biogen Idec MA Inc. (US) 2013-09-04 EP disclosed
WO-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 WO disclosed
WO-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK SMN1; SMN2 4612/4885NPC1 4673/4885RAB9A 1906/4885
US-20130345192-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK SMN1; SMN2 4612/4885NPC1 4673/4885RAB9A 1906/4885

“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.