Sugi Predict

Sugi Predict / Compounds / SCHEMBL215871

SCHEMBL215871

SCHEMBL215871

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(OCCCN3CCCC3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CHEK2 O96017 2/20 0.42
▸ FGFR1 P11362 1/20 0.41
▸ FLT1 P17948 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ ACHE P22303 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PIR O00625 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MET P08581 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
SCHEMBL3327359 1.00 LMNA (0.43) LMNAMAPK1HIF1ACHEK2FGFR1
SCHEMBL215366 0.96 LMNA (0.43) LMNAMAPK1HIF1ACHEK2ALDH1A1
SCHEMBL213924 0.94 ALDH1A1 (0.40) LMNACHEK2ALDH1A1KDM4EKMT2A
SCHEMBL213821 0.90 HRH4 (0.42) ALDH1A1KDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL213244 0.89 ALDH1A1 (0.38) LMNAMAPK1HIF1AALDH1A1KDM4E
SCHEMBL213685 0.89 ALDH1A1 (0.38) LMNAMAPK1HIF1AALDH1A1KDM4E
SCHEMBL214630 0.89 HRH3 (0.40) ALDH1A1ACHEKDM4EKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL213175 0.89 ITGB3 (0.38) LMNAMAPK1HIF1AALDH1A1KDM4E
SCHEMBL14222350 0.88 LMNA (0.43) LMNAMAPK1HIF1ACHEK2ALDH1A1
SCHEMBL215715 0.87 LMNA (0.43) LMNAMAPK1HIF1ACHEK2ALDH1A1

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
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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 — — EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 — — 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 LMNA 4821/4885MAPK1 354/4885HIF1A 2098/4885

“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.