SCHEMBL214024

SCHEMBL214024

O=C(Nc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)Nc1cccc2c1CCNC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
NPC1 O15118 12/20 0.42
RAB9A P51151 11/20 0.42
PKM P14618 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
GAA P10253 2/20 0.40
TP53 P04637 2/20 0.39
SCD O00767 1/20 0.39
LMNA P02545 1/20 0.39
OPRK1 P41145 1/20 0.39
KLF5 Q13887 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2735285 0.88 KMT2A (0.44) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL2735295 0.80 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL2735274 0.80 NPC1 (0.51) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL214740 0.79 NPC1 (0.63) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL213249 0.79 NPC1 (0.50) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL2735268 0.79 GAA (0.65) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL215244 0.79 ATM (0.45) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL2735280 0.79 GAA (0.55) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL2735350 0.78 NPC1 (0.51) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL213527 0.78 RAB9A (0.61) 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 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-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-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
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.