SCHEMBL29637140

SCHEMBL29637140

Nc1cccc(-c2c[nH]nn2)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.34
IDO1 P14902 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL18043789 0.78 MMP2 (0.50) MMP2IDO1CA12CA1CA2
SCHEMBL1822947 0.77 ALDH1A1 (0.52) IDO1ALDH1A1L3MBTL1
SCHEMBL6165261 0.76 ALDH1A1 (0.37) IDO1ALDH1A1L3MBTL1PARP1
SCHEMBL31092004 0.74 RAB9A (0.45) CA12CA1CA2CA7CA9
SCHEMBL11471190 0.74 RAB9A (0.45) CA12CA1CA2CA7CA9
SCHEMBL3322710 0.74 HDAC4 (0.38) MMP2CA12CA1CA2CA7
SCHEMBL15412720 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1
SCHEMBL29628297 0.73 TSHR (0.46) ALDH1A1L3MBTL1
SCHEMBL5685123 0.73 KDM4C (0.35) ALDH1A1L3MBTL1PARP1
SCHEMBL2197897 0.70 ALDH1A1 (0.38) IDO1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4017854-B1 PYRAZINO[1,2-B]QUINAZOLINE-3,6-DIONES DERIVATIVES, THEIR PRODUCTION AND USES THEREOF CIIMAR CENTRO INTERDISCIPLINAR DE INVESTIG MARINHA E AMBIENTAL (PT) 2025-08-13 EP disclosed
US-20220274987-A1 PYRAZINO [1,2-B]QUINAZOLINE-3,6-DIONES DERIVATIVES, THEIR PRODUCTION AND USES THEREOF UNIVERSIDADE NOVA DE LISBOA (PT) 2022-09-01 US disclosed
EP-4017854-A1 PYRAZINO [1,2-B]QUINAZOLINE-3,6-DIONES DERIVATIVES, THEIR PRODUCTION AND USES THEREOF CIIMAR - Centro Interdisciplinar de Investigação Marinha e Ambiental (PT) 2022-06-29 EP 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-20220274987-A1 PYRAZINO [1,2-B]QUINAZOLINE-3,6-DIONES DERIVATIVES, THEIR PRODUCTION AND USES THEREOF NQO2, G6PD, QDPR MMP2 2273/4885IDO1 990/4885CA12 4851/4885

“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.