SCHEMBL3373077

SCHEMBL3373077

COc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)O)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.41
MAPK3 P27361 1/20 0.39
DAPK1 P53355 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
CNR2 P34972 2/20 0.37
LCK P06239 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL3375714 0.96 SYK (0.45) SYK
SCHEMBL3450638 0.95 SYK (0.39) SYKMAPK3DAPK1HDAC3HDAC1
SCHEMBL3448623 0.95 SYK (0.39) SYKMAPK3DAPK1HDAC3HDAC1
SCHEMBL3451441 0.94 SYK (0.39) SYKMAPK3DAPK1HDAC3HDAC1
SCHEMBL3373538 0.93 TYRO3 (0.39) SYKMAPK3DAPK1HDAC3HDAC1
SCHEMBL3374247 0.93 SYK (0.47) SYK
SCHEMBL13312000 0.93 SYK (0.38) SYKMAPK3DAPK1HDAC3HDAC1
SCHEMBL3448495 0.92 PTK2 (0.40) SYKMAPK3DAPK1HDAC3HDAC1
SCHEMBL3450781 0.91 TYRO3 (0.39) SYKMAPK3DAPK1HDAC3HDAC1
SCHEMBL3449551 0.91 SYK (0.40) SYKMAPK3HDAC3HDAC1HDAC2

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 5 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
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 804/4885MAPK3 2827/4885DAPK1 3761/4885

“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.