SCHEMBL3450416

SCHEMBL3450416

O=C(NCCO)c1cccc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 7/20 0.42
FYN P06241 2/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
JAK1 P23458 1/20 0.38
BLK P51451 1/20 0.38
JAK3 P52333 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
SYK P43405 1/20 0.37
PTK2 Q05397 1/20 0.37
GCGR P47871 2/20 0.37

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
SCHEMBL3374672 0.89 SYK (0.48) SYK
SCHEMBL3448235 0.88 SYK (0.49) JAK3SYKPTK2
SCHEMBL3452624 0.87 SYK (0.48) SYK
SCHEMBL3374661 0.87 SYK (0.45) ABL1BCRSYKPTK2
SCHEMBL3450657 0.86 SYK (0.39) SYKPTK2
SCHEMBL3451565 0.85 SYK (0.42) SYK
SCHEMBL3449183 0.84 JAK1 (0.39) JAK1BLKJAK3
SCHEMBL3448606 0.83 SYK (0.37) ABL1BCRSYKPTK2
SCHEMBL3448510 0.83 NTRK1 (0.47) GPR52ABL1BCRCCNT1CCNE1
SCHEMBL3374147 0.83 SYK (0.37) ABL1SYKPTK2

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 GPR52 3746/4885FYN 2033/4885ABL1 370/4885

“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.