SCHEMBL3449355

SCHEMBL3449355

COC(=O)c1cc(-c2cnc(Nc3cccc(C#N)c3)nc2-n2nc(C(F)(F)F)cc2C)cnc1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
SYK P43405 10/20 0.41
BTK Q06187 2/20 0.38
EGFR P00533 1/20 0.38
MAOB P27338 1/20 0.38
GRM5 P41594 1/20 0.38
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
SRC P12931 1/20 0.36
MAPK12 P53778 1/20 0.36
CDC7 O00311 1/20 0.36
PTK2 Q05397 1/20 0.36
LCK P06239 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
SCHEMBL3451676 0.94 CNR2 (0.43) CNR2SYKBTKEGFRMAOB
SCHEMBL3448553 0.91 SYK (0.41) SYK
SCHEMBL3448287 0.90 SYK (0.40) SYKBTKGRM5LCK
SCHEMBL3373201 0.90 DAPK1 (0.36) CNR2SYKBTKLCK
SCHEMBL3451517 0.89 SYK (0.35) CNR2SYK
SCHEMBL3448155 0.89 SYK (0.45) SYKBTKEGFRSRCLCK
SCHEMBL3447752 0.89 CNR2 (0.43) CNR2SYK
SCHEMBL3449553 0.88 CNR2 (0.42) CNR2SYKBTKEGFRMAOB
SCHEMBL3447935 0.88 SYK (0.44) SYKBTKEGFRPTK2LCK
SCHEMBL13311967 0.87 SYK (0.36) CNR2SYKBTKEGFRPTK2

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 2 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

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 CNR2 517/4885SYK 804/4885BTK 1019/4885

“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.