SCHEMBL3449178

SCHEMBL3449178

COc1cc(C#N)cc(Nc2ncc(-c3cncc(C(=O)O)c3)c(-n3ccc(C(F)(F)F)n3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
IDH1 O75874 2/20 0.39
UBE2N P61088 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PAX8 Q06710 1/20 0.39
PDGFRB P09619 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 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
MAPK3 P27361 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
SCHEMBL3376553 0.94 PDGFRB (0.40) SYKPDGFRBTYRO3MERTKHDAC3
SCHEMBL3376599 0.91 MAPT (0.42) SYKKDM4EMAPTSAE1UBA2
SCHEMBL3447808 0.90 SYK (0.53) SYKMAPTIDH1
SCHEMBL3450083 0.90 SYK (0.42) SYKMAPT
SCHEMBL13312523 0.90 SYK (0.41) SYKIDH1PDGFRBTYRO3MERTK
SCHEMBL3449054 0.89 HDAC3 (0.37) SYKMAPTPDGFRBTYRO3MERTK
SCHEMBL3448117 0.88 IDH1 (0.39) SYKKDM4EMAPTSAE1UBA2
SCHEMBL3450331 0.88 PTK2 (0.45) PDGFRBTYRO3MERTKHDAC3HDAC1
SCHEMBL3452726 0.88 AXL (0.36) SYKPDGFRBTYRO3MERTKHDAC3
SCHEMBL3449040 0.87 SYK (0.49) SYK

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 SYK 804/4885KDM4E 3882/4885MAPT 3947/4885

“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.