SCHEMBL3450158

SCHEMBL3450158

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NTRK1 P04629 2/20 0.36
ATF1 P18846 1/20 0.35
NFKB1 P19838 1/20 0.35
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
MAPK3 P27361 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
AXL P30530 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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) CNR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3448433 0.94 SYK (0.39) CNR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3377805 0.92 SYK (0.41) MAPTNPSR1NPC1
SCHEMBL3450201 0.92 SYK (0.41) TYRO3MERTKMAPTNPC1
SCHEMBL3463734 0.92 IDH1 (0.38) CNR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3446985 0.90 MAPT (0.45) CNR2TYRO3MERTKMAPTNPSR1
SCHEMBL13312493 0.90 IDH1 (0.39) CNR2TYRO3MERTKMAPTNPSR1
SCHEMBL13311994 0.89 TYRO3 (0.36) CNR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3374495 0.89 IDH1 (0.39) CNR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3378656 0.89 PTK2 (0.37) TYRO3MERTKMAPTNPSR1EGFR

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 CNR2 517/4885HDAC3 1200/4885HDAC1 1109/4885

“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.