SCHEMBL215861

SCHEMBL215861

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.63
▸ MAPT P10636 5/20 0.58
▸ LMNA P02545 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ THRB P10828 1/20 0.57
▸ KDM4E B2RXH2 6/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ GAA P10253 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MEN1 O00255 5/20 0.51
▸ HPGD P15428 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL213976 0.91 MAPT (0.71) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL214246 0.90 MAPT (0.53) KMT2AMAPTLMNAPOLBSMN1; SMN2
SCHEMBL215229 0.89 MAPT (0.63) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL215825 0.89 MAPT (0.57) KMT2AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL214708 0.88 GAA (0.49) KMT2AMAPTLMNAPOLBSMN1; SMN2
SCHEMBL214746 0.88 MAPT (0.74) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL214575 0.85 MAPT (0.53) KMT2AMAPTSMN1; SMN2THRBKDM4E
SCHEMBL213701 0.84 MAPT (0.75) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL14222316 0.83 GAA (0.54) KMT2AMAPTLMNAPOLBSMN1; SMN2
SCHEMBL215331 0.82 ALDH1A1 (0.61) KMT2AMAPTLMNASMN1; SMN2KDM4E

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 KMT2A 437/4885MAPT 2138/4885LMNA 4821/4885

“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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