SCHEMBL9924339

SCHEMBL9924339

C=Cc1ccc2nnc(CC)n2n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.37
MET P08581 7/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DPP4 P27487 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK14 Q16539 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9924340 0.83 BRD4 (0.42) BRD4KDM4EALDH1A1POLBMET
SCHEMBL19631468 0.74 BRD4 (0.43) BRD4KDM4EALDH1A1POLBMET
SCHEMBL9924343 0.73 BRD4 (0.40) BRD4KDM4EPOLBMETMEN1
SCHEMBL9910518 0.73 POLB (0.41) BRD4KDM4EPOLBHSD17B10
SCHEMBL12891181 0.72 BRD4 (0.42) BRD4KDM4EALDH1A1POLBMET
SCHEMBL12049152 0.69 MET (0.71) MET
SCHEMBL14852466 0.68 HSD17B10 (0.44) KDM4EALDH1A1DPP4CYP1A2SMN1; SMN2
SCHEMBL14422583 0.67 NOTUM (0.52) KDM4EHPGDHSD17B10
SCHEMBL14422585 0.67 BRD4 (0.46) BRD4KDM4EALDH1A1POLBMEN1
SCHEMBL16972524 0.67 PDE10A (0.49) KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9066954-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2015-06-30 US disclosed
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-11-14 US disclosed
US-8524900-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2013-09-03 US disclosed
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-06-14 US disclosed
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 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 (3 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-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET BRD4 3499/4885KDM4E 4500/4885ALDH1A1 156/4885
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET BRD4 3499/4885KDM4E 4500/4885ALDH1A1 156/4885
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET BRD4 3499/4885KDM4E 4500/4885ALDH1A1 156/4885

“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.