SCHEMBL214747

SCHEMBL214747

CC(C)(C)N(CCc1ccccc1NC(=O)c1[nH]cnc1C(=O)Nc1nc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
RAB9A P51151 8/20 0.42
NPC1 O15118 7/20 0.42
PKM P14618 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KLF5 Q13887 2/20 0.40
LMNA P02545 3/20 0.40
S1PR2 O95136 1/20 0.40

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
SCHEMBL2735279 0.86 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL2735320 0.85 MEN1 (0.48) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL2735272 0.85 ALDH1A1 (0.54) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL2735312 0.84 ALDH1A1 (0.50) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL2735317 0.84 GAA (0.48) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL3333218 0.84 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL14222685 0.82 BCHE (0.54) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL2735310 0.80 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL2735268 0.79 GAA (0.65) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL2735306 0.79 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDGAA

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 3 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-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US 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.