SCHEMBL17645593

SCHEMBL17645593

O=C(O)Nc1cc([N+](=O)[O-])[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
MAPT P10636 3/20 0.38
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
NR1I2 O75469 1/20 0.35
AHR P35869 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL29186500 0.85 DYRK1A (0.46) DYRK1AHPGDMEN1KMT2ACCNA2
SCHEMBL31307034 0.80 DYRK1A (0.42) DYRK1AHPGDMEN1KMT2ACCNA2
SCHEMBL1555895 0.77 DYRK1A (0.43) DYRK1AHPGDMEN1KMT2ARAB9A
SCHEMBL27599943 0.74 HPGD (0.41) DYRK1AHPGDMEN1KMT2ACDK2
SCHEMBL26820 0.73 HPGD (0.54) HPGD
SCHEMBL2359207 0.72 HPGD (0.43) DYRK1AHPGDMEN1KMT2ACDK2
Hydrochloric Acid SCHEMBL27727584 0.71 HPGD (0.52) HPGD
SCHEMBL17645589 0.71 CCNA2 (0.44) CCNA2CDK2CCNA1RAB9ANPC1
SCHEMBL2544544 0.70
SCHEMBL27725626 0.69 HPGD (0.40) DYRK1AHPGDMEN1KMT2ACDK2

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-10131669-B2 Pyrazolopyrimidine compounds PFIZER INC. (US) 2018-11-20 US disclosed
US-20170204099-A1 Pyrazolopyrimidine Compounds PFIZER INC. (US) 2017-07-20 US disclosed
WO-2017027984-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CANCER BY INHIBITING ATG4B AND BLOCKING AUTOPHAGY SIMON FRASER UNIVERSITY (CA) 2017-02-23 WO disclosed
US-9388181-B2 Substituted 1,2,3,4-tetrahydropyrido[3,4-E] pyrrolo[1,2-A]pyrimidines as kinase ALLERGAN, INC. (US) 2016-07-12 US disclosed
US-20160096837-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROPYRIDO[3,4-E] PYRROLO[1,2-A]PYRIMIDINES AS KINASE INHIBITORS ALLERGAN, INC. 2016-04-07 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-10131669-B2 Pyrazolopyrimidine compounds PDE4B, PDE4A, PDE7A DYRK1A 1064/4885HPGD 954/4885MEN1 4159/4885
US-20160096837-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROPYRIDO[3,4-E] PYRROLO[1,2-A]PYRIMIDINES AS KINASE INHIBITORS TK1, CDK2, MAP4K2 DYRK1A 432/4885HPGD 2085/4885MEN1 3922/4885
US-20170204099-A1 Pyrazolopyrimidine Compounds DPYD, QDPR, ABCG2 DYRK1A 2288/4885HPGD 1926/4885MEN1 1140/4885

“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.