SCHEMBL213796

SCHEMBL213796

CCOc1ccccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.38
GAA P10253 1/20 0.37
HSD17B10 Q99714 5/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.35
TP53 P04637 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
SCHEMBL214873 0.88 LMNA (0.39) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL216097 0.86 POLB (0.36) ALDH1A1HPGDPOLBSMN1; SMN2HTT
SCHEMBL214715 0.85 POLB (0.40) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL215044 0.85 POLB (0.37) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL216075 0.85 POLB (0.38) KMT2AALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL215369 0.84 POLB (0.41) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL214165 0.84 POLB (0.36) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL214647 0.84 POLB (0.38) ALDH1A1HPGDNPC1RAB9APOLB
SCHEMBL212933 0.83 PAX8 (0.38) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL214273 0.83 POLB (0.38) ALDH1A1HPGDNPC1RAB9APOLB

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 KMT2A 437/4885ALDH1A1 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.