SCHEMBL1396121

SCHEMBL1396121

COCn1cnc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.37
MITF O75030 1/20 0.35

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
SCHEMBL21198513 0.83 ALDH1A1 (0.47) ALDH1A1PKML3MBTL1TAAR1MEN1
SCHEMBL17119678 0.83 ALDH1A1 (0.50) ALDH1A1PKML3MBTL1TAAR1MEN1
SCHEMBL9873776 0.81 L3MBTL1 (0.49) ALDH1A1PKML3MBTL1TAAR1MEN1
SCHEMBL174157 0.80 ALDH1A1 (0.51) ALDH1A1PKML3MBTL1TAAR1MAPT
SCHEMBL14696607 0.80 L3MBTL1 (0.53) ALDH1A1PKML3MBTL1TAAR1MEN1
SCHEMBL1396155 0.79 ALDH1A1 (0.43) ALDH1A1PKML3MBTL1TAAR1MEN1
SCHEMBL1797696 0.78 L3MBTL1 (0.56) ALDH1A1PKML3MBTL1TAAR1MEN1
SCHEMBL9810683 0.77 L3MBTL1 (0.54) ALDH1A1PKML3MBTL1TAAR1MEN1
SCHEMBL27343291 0.77 L3MBTL1 (0.50) ALDH1A1PKML3MBTL1TAAR1MEN1
SCHEMBL16896797 0.77 L3MBTL1 (0.54) ALDH1A1PKML3MBTL1TAAR1MEN1

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 7 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
CN-102119157-A Tricyclic 2,4-diamino-L,3,5-triazine derivatives useful for the treatment of cancer and myeloproliferative disorders ASTRAZENECA AB 2011-07-06 CN disclosed
EP-2288602-A1 TRICYCLIC 2,4-DIAMIN0-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2011-03-02 EP 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
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 ALDH1A1 855/4885PKM 2762/4885L3MBTL1 3406/4885

“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.