SCHEMBL2160945

SCHEMBL2160945

O=[N+]([O-])c1cn(CC(F)(F)F)cn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
KDM2B Q8NHM5 1/20 0.40
PHF8 Q9UPP1 1/20 0.40
HIF1A Q16665 1/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SOS1 Q07889 1/20 0.34

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
SCHEMBL21198951 0.83 L3MBTL1 (0.44) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL14696607 0.81 L3MBTL1 (0.53) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL21199074 0.79 ALDH1A1 (0.43) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL174157 0.78 ALDH1A1 (0.51) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL16896797 0.78 L3MBTL1 (0.54) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL9810683 0.78 L3MBTL1 (0.54) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL27343291 0.78 L3MBTL1 (0.50) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL27629656 0.78 L3MBTL1 (0.45) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL27747903 0.78 L3MBTL1 (0.48) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL15544605 0.77 L3MBTL1 (0.47) L3MBTL1ALDH1A1PKMTAAR1HIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 US disclosed
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 US disclosed
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 US disclosed
WO-2009150462-A1 TRICYCLIC 2,4-DIAMIN0-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-17 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-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS THPO, MPL, MCL1 L3MBTL1 3406/4885ALDH1A1 855/4885PKM 2762/4885

“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.