SCHEMBL3565043

SCHEMBL3565043

COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(C(N)=O)c(C(=O)N4CCN(C)CC4)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
PTPN11 Q06124 1/20 0.42
CCKAR P32238 1/20 0.39
MAP4K1 Q92918 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 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
SCHEMBL3564256 0.92 PTPN11 (0.43) PTPN11CCKARMAP4K1MEN1GAA
SCHEMBL3565147 0.86 MAP4K1 (0.48) PTPN11CCKARMAP4K1MEN1KMT2A
SCHEMBL13342638 0.85 ALDH1A1 (0.41) PTPN11MEN1KMT2ATSHRALDH1A1
SCHEMBL13342637 0.81 PTPN11 (0.51) PTPN11MAP4K1MEN1KMT2AMAPT
SCHEMBL1516627 0.80 PTPN11 (0.47) PTPN11MAP4K1MEN1GAAKMT2A
SCHEMBL3565148 0.80 MAP4K1 (0.59) PTPN11MAP4K1MEN1KMT2AMAPT
SCHEMBL3561085 0.78 PTPN11 (0.44) PTPN11CCKARMAP4K1MEN1KMT2A
SCHEMBL3570793 0.78 ALDH1A1 (0.37) PTPN11CCKARMEN1GAAKMT2A
Trifluoroacetic Acid SCHEMBL3560130 0.78 PTPN11 (0.47) PTPN11MAP4K1MEN1KMT2AMAPT
SCHEMBL3571720 0.78 MAP4K1 (0.60) BTKMAP4K1CAMKK2KIT

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-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 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-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 BTK 255/4885PTPN11 1303/4885CCKAR 3557/4885

“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.