SCHEMBL3450037

SCHEMBL3450037

CCOC(=O)c1cncc(-c2cnc(Nc3cccc(C(C)=O)c3)nc2-n2nc(C(F)(F)F)cc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.52
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
FGFR1 P11362 1/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
TYK2 P29597 2/20 0.41
JAK1 P23458 1/20 0.41
BLK P51451 1/20 0.40
CTSC P53634 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
UBE2N P61088 1/20 0.39

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
SCHEMBL3447139 0.94 SYK (0.51) SYKALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL3449237 0.93 SYK (0.51) SYKALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL3450300 0.93 SYK (0.50) SYKALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL13311816 0.92 SYK (0.49) SYKNPC1RAB9AKDM4EFGFR1
SCHEMBL3449523 0.92 SYK (0.49) SYKKDM4EFGFR1ALDH1A1MAPT
SCHEMBL3449687 0.91 SYK (0.48) SYKALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL3448946 0.90 SYK (0.49) SYKCTSCLCKBTK
SCHEMBL13311928 0.90 SYK (0.48) SYKALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL3449277 0.90 SYK (0.48) SYKSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3448083 0.89 SYK (0.51) SYKALOX15SMN1; SMN2NPC1RAB9A

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 SYK 804/4885ALOX15 540/4885SMN1; SMN2 3328/4885

“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.