SCHEMBL1852526

SCHEMBL1852526

CN1CCC[C@H]1C(=O)Nc1c(C(N)=O)oc2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP6 P55212 1/20 0.43
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCHR1 Q99705 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
SCHEMBL4277475 0.87 KMT2A (0.45) KMT2AMAPTALDH1A1TSHRKDM4E
SCHEMBL4115321 0.87 ALDH1A1 (0.46) KMT2AMAPTALDH1A1TSHRKDM4E
SCHEMBL1851819 0.83 USP30 (0.53) KMT2AMAPTALDH1A1TSHRKDM4E
SCHEMBL1850141 0.83 USP30 (0.53) KMT2AMAPTALDH1A1TSHRKDM4E
SCHEMBL4128711 0.82 ALDH1A1 (0.46) KMT2AMAPTALDH1A1TSHRKDM4E
SCHEMBL4277803 0.80 TSHR (0.50) KMT2AMAPTALDH1A1TSHRKDM4E
SCHEMBL1851649 0.79 USP30 (0.47) KMT2AMAPTALDH1A1TSHRKDM4E
SCHEMBL1854752 0.79 USP30 (0.47) KMT2AMAPTALDH1A1TSHRKDM4E
SCHEMBL4277750 0.79 ALDH1A1 (0.51) KMT2AMAPTALDH1A1TSHRKDM4E
SCHEMBL4273148 0.79 KMT2A (0.49) KMT2AMAPTALDH1A1TSHRKDM4E

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
EP-2097419-B1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS INC (US) 2011-05-25 EP disclosed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US disclosed
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 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-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 CYP3A4 169/4885CYP2D6 80/4885KMT2A 2152/4885

“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.