SCHEMBL3449201

SCHEMBL3449201

CNC(=O)c1cncc(-c2cnc(Nc3cc(OC)cc(OC)c3)nc2-n2nc(C(F)(F)F)cc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.43
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
JAK2 O60674 1/20 0.39
NTRK1 P04629 1/20 0.39
TYK2 P29597 1/20 0.39
KDR P35968 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2B Q14289 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
DAPK1 P53355 1/20 0.37
PDGFRB P09619 1/20 0.37
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
BTK Q06187 2/20 0.36
LCK P06239 1/20 0.36
STIM1 Q13586 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
SCHEMBL3450249 0.93 HDAC3 (0.40) PTK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3372935 0.92 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6DAPK1
SCHEMBL3450608 0.91 SYK (0.42) PTK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3450408 0.90 SRC (0.38) PTK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3450368 0.89 SYK (0.42) HDAC3HDAC1HDAC2HDAC6JAK2
SCHEMBL3449599 0.88 SYK (0.41) HDAC3HDAC1HDAC2HDAC6
SCHEMBL3450553 0.88 SYK (0.43) HDAC3HDAC1HDAC2HDAC6DAPK1
SCHEMBL3448211 0.88 AXL (0.36) HDAC3HDAC1HDAC2HDAC6DAPK1
SCHEMBL3451697 0.88 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6JAK2
SCHEMBL3450343 0.88 SYK (0.41) HDAC3HDAC1HDAC2HDAC6DAPK1

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 PTK2 3971/4885HDAC3 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.