SCHEMBL3448117

SCHEMBL3448117

COc1cc(C#N)cc(Nc2ncc(-c3cnc(OC)c(C(=O)O)c3)c(-n3ccc(C(F)(F)F)n3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.39
SYK P43405 5/20 0.39
MAPK3 P27361 1/20 0.37
DAPK1 P53355 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
CNR2 P34972 4/20 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

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
SCHEMBL3374495 0.94 IDH1 (0.39) IDH1SYKMAPK3DAPK1TYRO3
SCHEMBL3375491 0.94 SYK (0.41) SYKMAPK3DAPK1TYRO3MERTK
SCHEMBL3449532 0.93 SYK (0.45) IDH1SYK
SCHEMBL3449039 0.92 IDH1 (0.39) IDH1SYKCNR2MAPT
SCHEMBL3451469 0.91 CNR2 (0.43) IDH1SYKCNR2
SCHEMBL3376264 0.90 SYK (0.46) SYK
SCHEMBL3448415 0.90 SYK (0.39) IDH1SYKMAPK3DAPK1TYRO3
SCHEMBL3448433 0.89 SYK (0.39) SYKMAPK3TYRO3MERTKCNR2
SCHEMBL3449178 0.88 SYK (0.43) IDH1SYKMAPK3TYRO3MERTK
SCHEMBL3376690 0.88 TYRO3 (0.40) SYKMAPK3DAPK1TYRO3MERTK

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 3 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

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 718/4885SYK 804/4885MAPK3 2827/4885

“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.