Sugi Predict

Sugi Predict / Compounds / SCHEMBL3564795

SCHEMBL3564795

SCHEMBL3564795

COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(Nc4cncnc4)c(C(=O)N(C)C)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.44
▸ PTPN11 Q06124 1/20 0.41
▸ ABL1 P00519 2/20 0.40
▸ TSHR P16473 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ CYP3A4 P08684 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PDE10A Q9Y233 2/20 0.33

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
SCHEMBL3565148 0.86 MAP4K1 (0.59) MAP4K1PTPN11ABL1TSHRMAPT
SCHEMBL3565147 0.85 MAP4K1 (0.48) MAP4K1PTPN11ABL1TSHRMAPT
SCHEMBL13342628 0.84 MAP4K1 (0.42) MAP4K1PTPN11ABL1TSHRMAPT
SCHEMBL4439645 0.83 MAP4K1 (0.41) MAP4K1PTPN11ABL1TSHRMAPT
SCHEMBL3568986 0.82 MAP4K1 (0.44) MAP4K1PTPN11ABL1TSHRMAPT
SCHEMBL3563287 0.82 PTPN11 (0.43) MAP4K1PTPN11ABL1TSHRMAPT
SCHEMBL14208401 0.81 PTPN11 (0.42) MAP4K1PTPN11ABL1TSHRMAPT
SCHEMBL3566926 0.81 MAP4K1 (0.45) MAP4K1PTPN11ABL1TSHRMAPT
SCHEMBL3568123 0.81 PTPN11 (0.48) MAP4K1PTPN11TSHRMAPTSMN1; SMN2
SCHEMBL3561535 0.81 MAP4K1 (0.39) MAP4K1PTPN11ABL1TSHRMAPT

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 7 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-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 — — US disclosed
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
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 — — US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 — — US disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 — — 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-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 MAP4K1 3/4885PTPN11 1303/4885ABL1 348/4885

“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.