SCHEMBL3374495

SCHEMBL3374495

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.39
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
DAPK1 P53355 1/20 0.36
SYK P43405 1/20 0.36
MAPK3 P27361 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
PAK1 Q13153 1/20 0.34
CNR2 P34972 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
AXL P30530 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL3448117 0.94 IDH1 (0.39) IDH1TYRO3MERTKDAPK1SYK
SCHEMBL3376690 0.94 TYRO3 (0.40) TYRO3MERTKDAPK1SYKMAPK3
SCHEMBL3448744 0.93 SYK (0.42) IDH1SYKMAPTCYP2C9CYP2C19
SCHEMBL13312493 0.92 IDH1 (0.39) IDH1TYRO3MERTKSYKMAPT
SCHEMBL3449553 0.91 CNR2 (0.42) IDH1SYKCNR2EGFRBTK
SCHEMBL3463734 0.90 IDH1 (0.38) IDH1TYRO3MERTKDAPK1SYK
SCHEMBL3450201 0.90 SYK (0.41) TYRO3MERTKSYKMAPT
SCHEMBL3450158 0.89 CNR2 (0.38) TYRO3MERTKDAPK1MAPK3KDM4E
SCHEMBL3375491 0.88 SYK (0.41) TYRO3MERTKDAPK1SYKMAPK3
SCHEMBL3373201 0.87 DAPK1 (0.36) TYRO3MERTKDAPK1SYKMAPK3

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
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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 718/4885TYRO3 2798/4885MERTK 1743/4885

“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.