SCHEMBL3448495

SCHEMBL3448495

CNC(=O)c1cc(-c2cnc(Nc3cc(OC)cc(OC)c3)nc2-n2nc(C(F)(F)F)cc2C)cnc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.40
ULK1 O75385 2/20 0.40
DAPK1 P53355 2/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
CNR2 P34972 2/20 0.38
LCK P06239 2/20 0.36
BTK Q06187 1/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
RIPK1 Q13546 1/20 0.36
MAPK3 P27361 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
ULK2 Q8IYT8 1/20 0.36
SYK P43405 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
SCHEMBL3376116 0.93 DAPK1 (0.39) PTK2DAPK1HDAC3HDAC1HDAC2
SCHEMBL3450781 0.93 TYRO3 (0.39) PTK2DAPK1HDAC3HDAC1HDAC2
SCHEMBL3373538 0.92 TYRO3 (0.39) DAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3373077 0.92 SYK (0.41) DAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3450478 0.91 SCN9A (0.40) DAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3449319 0.90 DAPK1 (0.36) DAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3377126 0.89 SYK (0.38) DAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3449203 0.89 DAPK1 (0.36) DAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3450588 0.88 DAPK1 (0.36) DAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3450410 0.88 SYK (0.40) DAPK1HDAC3HDAC1HDAC2HDAC6

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 3971/4885ULK1 2054/4885DAPK1 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.