SCHEMBL215658

SCHEMBL215658

NC(=O)c1c(C(=O)Nc2cccc3c2CCCC3)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.43
HDAC6 Q9UBN7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM1A O60341 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL214714 0.84 MAPT (0.44) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL215595 0.84 ALDH1A1 (0.46) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL215644 0.83 KDM4E (0.41) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL214646 0.82 EPHB3 (0.44) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL214450 0.82 LMNA (0.54) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL214023 0.82 HDAC11 (0.40) HDAC11HDAC6KDM4EMEN1KMT2A
SCHEMBL214784 0.82 CYP3A4 (0.39) MEN1KMT2APOLBLMNACYP3A4
SCHEMBL213329 0.81 KMT2A (0.41) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL214789 0.81 KDM4E (0.47) L3MBTL1KDM4EMEN1KMT2ATSHR
SCHEMBL214872 0.81 MAPT (0.42) KDM4EKMT2AALDH1A1POLBLMNA

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 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-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 HDAC11 2428/4885HDAC6 624/4885L3MBTL1 3660/4885

“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.