SCHEMBL216074

SCHEMBL216074

CC(C)c1ccccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
CFTR P13569 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
XBP1 P17861 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SOAT1 P35610 1/20 0.37
CYP3A4 P08684 1/20 0.37
SIRT1 Q96EB6 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 0.87 MAPT (0.44) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL217153 0.87 SOAT1 (0.40) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL214872 0.86 MAPT (0.42) KDM4ECFTRALDH1A1LMNAMAPT
SCHEMBL214646 0.85 EPHB3 (0.44) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL213795 0.85 HSD17B10 (0.49) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL215595 0.85 ALDH1A1 (0.46) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL213503 0.85 STK33 (0.39) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL214272 0.85 KDM4E (0.39) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL215644 0.85 KDM4E (0.41) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL213329 0.84 KMT2A (0.41) KDM4EALDH1A1LMNAMAPTSMN1; 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 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 KDM4E 952/4885CFTR 1358/4885ALDH1A1 4295/4885

“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.