SCHEMBL3463734

SCHEMBL3463734

COC(=O)c1cc(-c2cnc(Nc3cc(F)cc(OC)c3)nc2-n2ccc(C(F)(F)F)n2)cnc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.38
DAPK1 P53355 1/20 0.38
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CNR2 P34972 2/20 0.35
MAPK3 P27361 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3376690 0.95 TYRO3 (0.40) DAPK1TYRO3MERTKHDAC3HDAC1
SCHEMBL3448415 0.94 SYK (0.39) IDH1DAPK1TYRO3MERTKHDAC3
SCHEMBL3450360 0.92 SYK (0.41) IDH1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3450201 0.92 SYK (0.41) TYRO3MERTKNPC1MAPTSYK
SCHEMBL3450158 0.92 CNR2 (0.38) DAPK1TYRO3MERTKHDAC3HDAC1
SCHEMBL3450731 0.90 SCN9A (0.40) DAPK1
SCHEMBL3374495 0.90 IDH1 (0.39) IDH1DAPK1TYRO3MERTKHDAC3
SCHEMBL13311994 0.90 TYRO3 (0.36) DAPK1TYRO3MERTKHDAC3HDAC1
SCHEMBL3375491 0.89 SYK (0.41) DAPK1TYRO3MERTKHDAC3HDAC1
SCHEMBL3373679 0.89 NPC1 (0.44) NPC1MAPTSYK

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD IDH1 718/4885DAPK1 3761/4885TYRO3 2798/4885

“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.