SCHEMBL3374166

SCHEMBL3374166

CCOC(=O)c1cc(-c2cnc(Nc3cc(C)cc(OC)c3)nc2-n2nc(C(F)(F)F)cc2C)cn(CC)c1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
SYK P43405 13/20 0.36
SIRT5 Q9NXA8 1/20 0.36
TSHR P16473 1/20 0.35
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
KLK7 P49862 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3450610 0.96 SIRT5 (0.39) NPSR1SYKSIRT5TSHRSTIM1
SCHEMBL3377515 0.93 SYK (0.42) SYK
SCHEMBL3450257 0.89 SYK (0.38) SYKSTIM1ORAI1
SCHEMBL3452621 0.89 SYK (0.38) SYKSTIM1ORAI1
SCHEMBL3376319 0.89 SYK (0.38) SYKSIRT5NPC1MAPT
SCHEMBL3372962 0.87 SYK (0.38) SYKSTIM1ORAI1
SCHEMBL3449860 0.85 TYRO3 (0.36) SYKTSHRSTIM1ORAI1CASP1
SCHEMBL3374692 0.84 SYK (0.43) SYK
SCHEMBL3448646 0.84 SYK (0.41) NPSR1SYKSIRT5STIM1ORAI1
SCHEMBL3448528 0.84 EGFR (0.41) NPSR1SYKTSHRMEN1KMT2A

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 NPSR1 2715/4885SYK 804/4885SIRT5 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.