SCHEMBL216235

SCHEMBL216235

COc1ccc2nc(N(C(=O)c3nc[nH]c3C(N)=O)c3ccc(C)cc3C)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
POLB P06746 2/20 0.37
F10 P00742 1/20 0.36
TP53 P04637 2/20 0.35
MMP12 P39900 1/20 0.35
CHEK2 O96017 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35

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
SCHEMBL213394 0.89 POLB (0.48) KDM4EALDH1A1NPC1RAB9AATP4A
SCHEMBL214152 0.89 ALDH1A1 (0.38) KDM4EALDH1A1HPGDALOX15TSHR
SCHEMBL217227 0.87 POLB (0.37) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL214219 0.84 ALDH1A1 (0.40) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL214140 0.83 POLB (0.48) KDM4EALDH1A1NPC1RAB9AATP4A
SCHEMBL215289 0.83 ALK (0.34) MAOB
SCHEMBL215550 0.82 MAP2 (0.34) KDM4ETP53CYP1A2CYP2C9CYP2C19
SCHEMBL216094 0.82 POLB (0.48) KDM4EALDH1A1HPGDMAPK1NPC1
SCHEMBL214764 0.80 POLB (0.48) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL216492 0.79 POLB (0.37) KDM4EALDH1A1HPGDNPC1RAB9A

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 6 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
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 952/4885ALDH1A1 4295/4885HPGD 3138/4885

“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.