SCHEMBL1026442

SCHEMBL1026442

COc1ccc(/C=C/[N+](=O)[O-])nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 3/20 0.60
▸ TUBB4A P04350 1/20 0.48
▸ TUBB P07437 1/20 0.48
▸ TUBA3C P0DPH7 1/20 0.48
▸ TUBA1B P68363 1/20 0.48
▸ TUBA4A P68366 1/20 0.48
▸ TUBB4B P68371 1/20 0.48
▸ TUBB3 Q13509 1/20 0.48
▸ TUBB2A Q13885 1/20 0.48
▸ TUBB8 Q3ZCM7 1/20 0.48
▸ TUBA3E Q6PEY2 1/20 0.48
▸ TUBA1A Q71U36 1/20 0.48
▸ TUBA1C Q9BQE3 1/20 0.48
▸ TUBB6 Q9BUF5 1/20 0.48
▸ TUBB2B Q9BVA1 1/20 0.48
▸ TUBB1 Q9H4B7 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 2/20 0.47

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
SCHEMBL1026443 1.00 FBP1 (0.60) FBP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL491094 0.75 FBP1 (1.00) FBP1MAPTALDH1A1LMNAMAPK1
SCHEMBL491095 0.75 FBP1 (1.00) FBP1MAPTALDH1A1LMNAMAPK1
SCHEMBL18851550 0.74 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL733531 0.74 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25607528 0.74 FBP1 (0.56) FBP1MAPTALDH1A1LMNAHTT
SCHEMBL30320150 0.74 FBP1 (0.56) FBP1MAPTALDH1A1LMNAHTT
SCHEMBL16400769 0.72 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29434346 0.72 FBP1 (0.46) FBP1MAPTALDH1A1LMNAMAPK1
SCHEMBL31143112 0.72 FBP1 (0.46) FBP1MAPTALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 — — US disclosed
CN-115867553-A Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists 巴格沃克斯研究有限公司 2023-03-28 — — CN disclosed
EP-2150546-B1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE HOFFMANN LA ROCHE (CH) 2011-01-19 — — EP disclosed
EP-2150546-B1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE HOFFMANN LA ROCHE (CH) 2011-01-19 — — EP disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 — — US disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 — — US disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 — — US disclosed
EP-2150546-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. Hoffmann-Roche AG (CH) 2010-02-10 — — EP disclosed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIRAMED LIMITED (GB) 2008-10-23 — — WO disclosed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIRAMED LIMITED (GB) 2008-10-23 — — 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 (2 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-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIK3CA, PIP5K1B, PIK3CD FBP1 487/4885TUBB4A 3790/4885TUBB 3164/4885
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 FBP1 964/4885TUBB4A 1635/4885TUBB 1860/4885

“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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