SCHEMBL3554650

SCHEMBL3554650

C=C(c1ccccc1)c1cc(C(=O)OC)cc(-c2ccccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.52
GRM5 P41594 2/20 0.47
KAT6A Q92794 4/20 0.47
TSHR P16473 1/20 0.46
KDM4E B2RXH2 4/20 0.46
KDM6B O15054 2/20 0.46
KDM5C P41229 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM2A Q9Y2K7 2/20 0.46
KDM3A Q9Y4C1 2/20 0.46
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
TGFBR1 P36897 1/20 0.44
NEK1 Q96PY6 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ERN1 O75460 1/20 0.41
KDM4A O75164 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
SCHEMBL475480 0.90 AXL (0.56) AXLGRM5KAT6ATSHRKDM4E
SCHEMBL989567 0.87 AXL (0.56) AXLGRM5KAT6ATSHRKDM4E
SCHEMBL5562975 0.82 GRM5 (0.64) AXLGRM5KAT6ATSHRKDM4E
SCHEMBL11998005 0.82 AXL (0.49) AXLGRM5KAT6ATSHRKDM4E
SCHEMBL4542026 0.81 AXL (0.51) AXLGRM5KAT6ATSHRKDM4E
SCHEMBL3556217 0.81 AXL (0.51) AXLGRM5KAT6ATSHRKDM4E
SCHEMBL4648454 0.80 KAT6A (0.47) AXLGRM5KAT6ATSHRKDM4E
SCHEMBL6259 0.77 TGFBR1 (0.60) AXLTSHRKDM4ETGFBR1POLB
SCHEMBL30772298 0.77 TGFBR1 (0.60) AXLTSHRKDM4ETGFBR1POLB
SCHEMBL9335427 0.77 TSHR (0.62) TSHRKDM4EKDM6BKDM5CKDM4C

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
EP-1963312-B1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-07-02 EP disclosed
US-7838676-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-11-23 US disclosed
EP-1963312-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-09-03 EP disclosed
US-20070173521-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-07-26 US disclosed
WO-2007061930-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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-20070173521-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP AXL 3013/4885GRM5 1069/4885KAT6A 3701/4885

“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.