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SCHEMBL436909

SCHEMBL436909

[CH2-][NH2+][C@@H](c1ccccc1)[C@@H](C)CN1CCC2(CC1)CNC2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 7/20 0.39
▸ CYP2C9 P11712 4/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ USP2 O75604 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ CYP2C19 P33261 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ HSD11B1 P28845 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33

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
SCHEMBL438171 0.84 KDM4E (0.38) CYP2D6CYP3A4ALDH1A1KDM4EGFER
SCHEMBL435990 0.83 SIGMAR1 (0.43) ALDH1A1MEN1KMT2AKDM4EGFER
SCHEMBL435963 0.81 POLB (0.45) CYP2D6CYP3A4ALDH1A1TSHRCYP2C19
SCHEMBL2608054 0.81 CYP2D6 (0.41) CYP2D6CYP2C9CYP3A4USP2ALDH1A1
SCHEMBL438871 0.80 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL438819 0.80 POLB (0.44) CYP2D6CYP3A4ALDH1A1TSHRCYP2C19
SCHEMBL438623 0.79 GAA (0.55) CYP2D6ALDH1A1TSHRMEN1KMT2A
SCHEMBL13559370 0.79 CYP2D6 (0.39) CYP2D6CYP2C9CYP3A4USP2ALDH1A1
SCHEMBL436940 0.78 MEN1 (0.48) ALDH1A1MEN1KMT2AKDM4EGFER
SCHEMBL436907 0.78 MEN1 (0.42) CYP2D6ALDH1A1MEN1KMT2AKDM4E

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 CYP2D6 4/4885CYP2C9 31/4885CYP3A4 16/4885
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 CYP2D6 11/4885CYP2C9 51/4885CYP3A4 16/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 CYP2D6 3/4885CYP2C9 40/4885CYP3A4 2/4885

“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.