SCHEMBL4492858

SCHEMBL4492858

COc1cc(Nc2ncc(C(N)=O)cn2)ccc1OC[C@@H]1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.53
CHRNA3 P32297 4/20 0.53
SYK P43405 6/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
KCNH2 Q12809 3/20 0.43
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
AURKB Q96GD4 1/20 0.43
MAP2K1 Q02750 1/20 0.43
IRAK4 Q9NWZ3 2/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 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
SCHEMBL4498763 0.88 MAP2K1 (0.50) CHRNB4CHRNA3SYKKCNH2MAPK3
SCHEMBL4497884 0.88 MAP2K1 (0.50) CHRNB4CHRNA3SYKKCNH2MAPK3
SCHEMBL5686204 0.83 LTA4H (0.49) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5686277 0.83 LTA4H (0.49) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4489904 0.75 MAPK8 (0.48) SYKMAPK8MAPK9MAPK1MAPT
SCHEMBL5150203 0.75 CHRNB4 (0.62) CHRNB4CHRNA3PRKAB2PRKAG1PRKAA2
SCHEMBL5150199 0.75 CHRNB4 (0.62) CHRNB4CHRNA3PRKAB2PRKAG1PRKAA2
SCHEMBL5743147 0.75 CHRNB4 (0.48) CHRNB4CHRNA3AURKBCHRNB2CHRNA4
SCHEMBL4498180 0.73 CHRNB4 (0.41) CHRNB4CHRNA3PRKAB2PRKAG1PRKAA2
SCHEMBL4201146 0.72 MAPK1 (0.54) CHRNB4CHRNA3PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 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 (1 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 CHRNB4 2015/4885CHRNA3 2491/4885SYK 1151/4885

“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.