SCHEMBL2898071

SCHEMBL2898071

N#Cc1cnc2[nH]cc(C(O)c3c(F)ccc(NC(=O)OCc4ccccc4)c3F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 3/20 0.41
BTK Q06187 14/20 0.40
TDO2 P48775 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
SCHEMBL294448 0.88 BTK (0.41) BTKTDO2
SCHEMBL858696 0.88 BRAF (0.42) BTK
SCHEMBL13027102 0.86 BTK (0.39) BTK
SCHEMBL1086259 0.86 NPC1 (0.38) BTKTDO2
SCHEMBL414305 0.84 GRM8 (0.40) BTKTDO2
SCHEMBL417056 0.83 AAK1 (0.43) BTK
SCHEMBL1724389 0.83 CYP3A4 (0.58) CYP3A4CYP2C9
SCHEMBL13189387 0.79 BTK (0.39) CYP2C9BTK
SCHEMBL2898883 0.77 CYP3A4 (0.44) CYP3A4CYP2C9
SCHEMBL13067186 0.76 CYP2C19 (0.56) CYP3A4CYP2C9

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-8901301-B2 Pyrrolo[2,3-]pyridine kinase inhibitors PLEXXIKON INC. (US) 2014-12-02 US disclosed
US-8901301-B2 Pyrrolo[2,3-]pyridine kinase inhibitors PLEXXIKON INC. (US) 2014-12-02 US disclosed
US-20100286178-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2010-11-11 US disclosed
US-20100286178-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2010-11-11 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-20100286178-A1 COMPOUNDS AND USES THEREOF BRAF, RAF1, FER CYP3A4 3815/4885CYP2C9 2194/4885BTK 156/4885

“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.