SCHEMBL3449402

SCHEMBL3449402

CNc1ncc(-c2cnc(Nc3cc(OC)cc(OC)c3)nc2-n2ccc(C(F)(F)F)n2)cc1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 3/20 0.40
MERTK Q12866 2/20 0.40
MAPK3 P27361 1/20 0.39
PTK2 Q05397 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BMX P51813 1/20 0.36
EGFR P00533 3/20 0.36
BTK Q06187 3/20 0.36
CNR2 P34972 2/20 0.36
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
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
SCHEMBL3448113 0.94 SYK (0.40) TYRO3MERTKMAPK3PTK2KDM4E
SCHEMBL3376690 0.91 TYRO3 (0.40) TYRO3MERTKMAPK3PTK2KDM4E
SCHEMBL3447579 0.89 TYRO3 (0.39) TYRO3MERTKMAPK3PTK2KDM4E
SCHEMBL3460190 0.88 TYRO3 (0.37) TYRO3MERTKMAPK3PTK2KDM4E
SCHEMBL3377474 0.88 TYRO3 (0.39) TYRO3MERTKMAPK3PTK2KDM4E
SCHEMBL3374978 0.88 TYRO3 (0.37) TYRO3MERTKMAPK3PTK2KDM4E
SCHEMBL3450201 0.87 SYK (0.41) TYRO3MERTKNPC1MAPTSYK
SCHEMBL3463734 0.87 IDH1 (0.38) TYRO3MERTKMAPK3PTK2KDM4E
SCHEMBL3451240 0.87 PTK2 (0.41) TYRO3MERTKMAPK3PTK2HDAC3
SCHEMBL3375491 0.86 SYK (0.41) TYRO3MERTKMAPK3KDM4ENPC1

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 TYRO3 2798/4885MERTK 1743/4885MAPK3 2827/4885

“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.