SCHEMBL215014

SCHEMBL215014

COC(=O)c1ccc2[nH]c(NC(=O)c3[nH]cnc3C(=O)Nc3cc(Cl)ccc3C)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ KLF5 Q13887 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CSNK1E P49674 1/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ DYRK1B Q9Y463 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL215210 0.90 KMT2A (0.42) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL4566598 0.86 CSNK1E (0.41) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL2735267 0.86 NPC1 (0.52) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL214927 0.85 GAA (0.43) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL14222344 0.85 GAA (0.43) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL2735441 0.83 MMP2 (0.46) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL216261 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL2735355 0.81 MAPT (0.46) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL216299 0.81 HRH4 (0.44) KDM4EMAPTGAARAB9ALMNA
Hydrochloric Acid SCHEMBL216947 0.81 SMN1; SMN2 (0.40) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2

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 12 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 claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US claimed
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
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 ALDH1A1 4295/4885KDM4E 952/4885KMT2A 437/4885

“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.

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