SCHEMBL3452335

SCHEMBL3452335

N#Cc1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.47
TGFBR1 P36897 1/20 0.40
ULK1 O75385 1/20 0.38
GRM2 Q14416 1/20 0.36
MAPK1 P28482 1/20 0.36
SYK P43405 2/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
IDO1 P14902 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
SCHEMBL3449602 0.86 SYK (0.41) IDH1TGFBR1ULK1GRM2MAPK1
SCHEMBL3375503 0.86 SYK (0.40) IDH1ULK1MAPK1SYK
SCHEMBL3449320 0.84 MAPK1 (0.42) IDH1ULK1MAPK1STK17BSTK17A
SCHEMBL3449322 0.84 MAPK1 (0.47) IDH1ULK1MAPK1SYKSTK17B
SCHEMBL3374098 0.84 MAPT (0.40) IDH1ULK1MAPK1SYK
SCHEMBL3450762 0.83 STK17A (0.41) ULK1MAPK1SYKSTK17BSTK17A
SCHEMBL3450566 0.81 ULK1 (0.38) IDH1ULK1MAPK1SYKSTK17B
SCHEMBL13312489 0.81 ULK1 (0.39) ULK1MAPK1SYKSTK17BSTK17A
SCHEMBL3374672 0.80 SYK (0.48) SYK
SCHEMBL3376106 0.80 ULK1 (0.38) IDH1ULK1MAPK1SYKSTK17B

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 IDH1 718/4885TGFBR1 4416/4885ULK1 2054/4885

“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.