Sugi Predict

Sugi Predict / Compounds / SCHEMBL216162

SCHEMBL216162

SCHEMBL216162

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cccc(OC3CCN(C)CC3)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.39
▸ KMT2A Q03164 8/20 0.39
▸ MEN1 O00255 7/20 0.39
▸ HPGD P15428 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34

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
SCHEMBL2735383 0.91 TOP2A (0.42) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL215859 0.91 TOP2A (0.42) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL213406 0.90 TOP2A (0.44) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL3984920 0.88 IDO1 (0.35) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL13300431 0.87 TOP2A (0.40) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL4109979 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL215225 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL2735386 0.83 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL2735387 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL4100125 0.81 GAA (0.45) ALDH1A1KMT2AMEN1HPGDCYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 — — EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 — — WO claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ALDH1A1 4295/4885KMT2A 437/4885MEN1 3504/4885

“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.