SCHEMBL2735318

SCHEMBL2735318

O=C(Nc1ccccc1OC(F)(F)F)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
MTOR P42345 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 7/20 0.47
RAB9A P51151 6/20 0.47
PKM P14618 4/20 0.47
HSP90AA1 P07900 1/20 0.47
PAX8 Q06710 1/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.44

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
SCHEMBL2735309 0.86 ALDH1A1 (0.75) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL2735281 0.85 NPC1 (0.48) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL214740 0.84 NPC1 (0.63) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL2735268 0.82 GAA (0.65) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL213249 0.82 NPC1 (0.50) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL2735310 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL2735295 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL14222681 0.81 MEN1 (0.48) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL2735274 0.81 NPC1 (0.51) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL2735350 0.81 NPC1 (0.51) MEN1KMT2AALDH1A1HPGDCYP1A2

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 5 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-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
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 MEN1 3504/4885KMT2A 437/4885ALDH1A1 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.