SCHEMBL3451676

SCHEMBL3451676

COc1ncc(-c2cnc(Nc3cccc(C#N)c3)nc2-n2nc(C(F)(F)F)cc2C)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
SYK P43405 15/20 0.41
EGFR P00533 1/20 0.38
BTK Q06187 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

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
SCHEMBL3449355 0.94 CNR2 (0.41) CNR2SYKEGFRBTKMAOB
SCHEMBL3448384 0.91 SYK (0.44) SYK
SCHEMBL3450670 0.90 SYK (0.43) SYK
SCHEMBL3451441 0.90 SYK (0.39) CNR2SYK
SCHEMBL3449734 0.89 SYK (0.38) CNR2SYK
SCHEMBL3450452 0.89 SYK (0.45) SYKEGFRBTK
SCHEMBL3450314 0.89 CNR2 (0.43) CNR2SYKEGFRBTK
SCHEMBL3451469 0.88 CNR2 (0.43) CNR2SYKEGFRBTKMAOB
SCHEMBL3449516 0.88 SYK (0.44) SYKEGFRBTK
SCHEMBL13311977 0.87 SYK (0.41) CNR2SYKBTK

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 804/4885EGFR 2771/4885

“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.