SCHEMBL8297022

SCHEMBL8297022

COc1ncnc(NN)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA7 P43166 2/20 0.56
▸ CA13 Q8N1Q1 2/20 0.56
▸ MAPT P10636 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ PRMT1 Q99873 1/20 0.38

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
SCHEMBL9165003 0.82 CA1 (0.49) CA1CA2CA7CA13MAPT
SCHEMBL10968449 0.78 MAPT (0.61) CA1CA2CA7CA13MAPT
SCHEMBL12832960 0.78 MAPT (0.46) CA1CA2CA7CA13MAPT
SCHEMBL13401682 0.78 CA1 (0.51) CA1CA2CA7CA13MAPT
SCHEMBL12305495 0.76 CA1 (0.45) CA1CA2CA7CA13MAPT
SCHEMBL17815595 0.75 PRMT1 (0.69) CA1CA2CA7CA13MAPT
SCHEMBL12305510 0.75 CA1 (0.48) CA1CA2CA7CA13MAPT
SCHEMBL2786861 0.75 CA1 (0.44) CA1CA2CA7CA13MAPT
SCHEMBL28480257 0.71 CA1 (0.41) CA1CA2CA7CA13MAPT
SCHEMBL21611540 0.70 MAPT (0.49) CA1CA2CA7CA13MAPT

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
EP-1648896-B1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INT (ES) 2008-02-13 — — EP disclosed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 — — US disclosed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 — — US disclosed
WO-2005014596-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO `1,5-A! PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 — — WO disclosed
EP-0039037-B1 PYRIMIDYLTHIO-UREAS, MEDICINES CONTAINING THEM AND THEIR USE Beiersdorf Aktiengesellschaft (DE) 1985-01-16 — — EP disclosed
US-4434167-A Pyrimidyl thioureas useful for the treatment of hypertension and hyperlipidemia BEIERSDORF AKTIENGESELLSCHAFT (DE) 1984-02-28 — — US disclosed
EP-0039037-A1 Pyrimidylthio-ureas, medicines containing them and their use Beiersdorf Aktiengesellschaft (DE) 1981-11-04 — — 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-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines GABRB1, GABRA1, GABRB2 CA1 3123/4885CA2 2439/4885CA7 3374/4885

“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.

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