SCHEMBL3529993

SCHEMBL3529993

CC(C)(C)OC(=O)Nc1cccc(C2CCNCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
BCL2 P10415 1/20 0.43
BECN1 Q14457 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CYP17A1 P05093 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL17920283 0.91 PRKCI (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5190565 0.87 KMO (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5324244 0.87 HTR2C (0.55) HTR2C
SCHEMBL27687081 0.87 DRD2 (0.45)
SCHEMBL3006555 0.84 NAMPT (0.52)
SCHEMBL4219874 0.82 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4765095 0.82 HPGD (0.54) HTR2C
SCHEMBL4395917 0.81 HTR2C (0.63) HTR2C
SCHEMBL4098389 0.81 HTR2C (0.54) HTR2C
SCHEMBL17474511 0.81 BCL2 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6

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-7642270-B2 5-oxo-5,8-dihydro-pyrido-pyrimidine as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-05 US disclosed
EP-1937681-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
WO-2007033232-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 WO disclosed
US-20070060577-A1 5-Oxo-5,8-dihydro-pyrido-pyrimidines as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-15 US 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-20070060577-A1 5-Oxo-5,8-dihydro-pyrido-pyrimidines as inhibitors of c-fms kinase FLT3, FES, FGR HTR2C 2128/4885HDAC3 3530/4885HDAC1 3453/4885

“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.