SCHEMBL3450368

SCHEMBL3450368

CCOC(=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
SYK P43405 2/20 0.42
NPSR1 Q6W5P4 1/20 0.38
SIRT5 Q9NXA8 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 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
PDGFRB P09619 1/20 0.36
BTK Q06187 2/20 0.36
LCK P06239 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 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
SCHEMBL3448646 0.96 SYK (0.41) SYKNPSR1SIRT5HDAC3HDAC1
SCHEMBL3449133 0.96 HDAC3 (0.44) SYKNPSR1HDAC3HDAC1HDAC2
SCHEMBL3451182 0.96 SYK (0.40) SYKNPSR1SIRT5HDAC3HDAC1
SCHEMBL3451016 0.95 SYK (0.40) SYKNPSR1SIRT5HDAC3HDAC1
SCHEMBL3375394 0.94 MAPT (0.41) SYKNPSR1SIRT5HDAC3HDAC1
SCHEMBL3447421 0.94 SYK (0.39) SYKNPSR1SIRT5HDAC3HDAC1
SCHEMBL13311988 0.93 SYK (0.38) SYKNPSR1SIRT5HDAC3HDAC1
SCHEMBL3448884 0.91 SYK (0.44) SYKNPSR1
SCHEMBL3448022 0.91 SYK (0.43) SYKNPSR1TYRO3MERTKJAK2
SCHEMBL3372935 0.91 HDAC3 (0.39) SYKHDAC3HDAC1HDAC2HDAC6

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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US 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 804/4885NPSR1 2715/4885SIRT5 945/4885

“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.