SCHEMBL438884

SCHEMBL438884

[CH2-][NH2+][C@@H](c1ccccc1)[C@@H](C)CN1CCC(C(N)=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 6/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL436894 0.84 KCNA3 (0.50) KMT2AALDH1A1GAAMEN1KDM4E
SCHEMBL10269496 0.83 KMT2A (0.54) KMT2ATDP1ALDH1A1MAPTGAA
SCHEMBL438165 0.82 CYP1A2 (0.40) KMT2AALDH1A1GAAMEN1KDM4E
SCHEMBL438868 0.82 SIGMAR1 (0.49) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL436934 0.81 CYP1A2 (0.46) KMT2AALDH1A1GAAMEN1LTA4H
SCHEMBL16181809 0.80 KMT2A (0.51) KMT2ATDP1ALDH1A1MAPTGAA
SCHEMBL435963 0.79 POLB (0.45) KMT2AALDH1A1GAAMEN1KDM4E
SCHEMBL435957 0.79 KMT2A (0.49) KMT2AALDH1A1GAAMEN1KDM4E
SCHEMBL438675 0.79 CCR5 (0.41) KMT2AALDH1A1MEN1KDM4E
SCHEMBL438881 0.79 KCNA3 (0.51) KDM4E

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-20150073136-A1 PYRAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8889692-B2 Pyrazinone derivatives, pharmaceutically acceptance salts thereof and their uses ASTRAZENECA AB (SE) 2014-11-18 US disclosed
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES ASTRAZENECA AB (SE) 2012-08-23 US disclosed
US-8163905-B2 Compounds and their uses 708 ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20120065214-A1 COMPOUNDS AND THEIR USES 708 ASTRAZENECA AB (SE) 2012-03-15 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 (3 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-20120065214-A1 COMPOUNDS AND THEIR USES 708 CYP3A7, CYP2C8, CYP2C18 KMT2A 3345/4885TDP1 3955/4885ALDH1A1 340/4885
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, CYP3A5 KMT2A 487/4885TDP1 4011/4885ALDH1A1 243/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 KMT2A 4194/4885TDP1 3656/4885ALDH1A1 466/4885

“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.