SCHEMBL5402419

SCHEMBL5402419

CNc1nc(Nc2ccc(Br)cc2)ncc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ GSK3B P49841 7/20 0.61
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ MCL1 Q07820 1/20 0.60
▸ PTK2B Q14289 1/20 0.60
▸ GSK3A P49840 6/20 0.55
▸ AURKA O14965 3/20 0.55
▸ STK17A Q9UEE5 2/20 0.51
▸ PLK1 P53350 1/20 0.49
▸ PIK3CA P42336 1/20 0.48
▸ PIK3CB P42338 1/20 0.48
▸ PIK3CG P48736 1/20 0.48

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
SCHEMBL5419368 0.88 GSK3B (0.63) MAPTRAB9ANPC1LMNAGSK3B
SCHEMBL5408180 0.87 STK17A (0.66) MAPTRAB9ANPC1LMNAGSK3B
SCHEMBL5405521 0.87 GSK3B (0.61) MAPTRAB9ANPC1LMNAGSK3B
SCHEMBL5408207 0.87 GSK3B (0.61) MAPTRAB9ANPC1LMNAGSK3B
SCHEMBL5402268 0.86 GSK3B (0.82) MAPTRAB9ANPC1LMNAGSK3B
SCHEMBL5417264 0.85 GSK3B (0.59) MAPTRAB9ANPC1LMNAGSK3B
SCHEMBL5407980 0.85 GSK3B (0.59) MAPTRAB9ANPC1LMNAGSK3B
SCHEMBL5406396 0.85 GSK3B (0.70) MAPTRAB9ANPC1LMNAGSK3B
SCHEMBL5152347 0.85 GSK3B (0.59) MAPTRAB9ANPC1LMNAGSK3B
SCHEMBL5407955 0.85 GSK3B (0.59) MAPTRAB9ANPC1LMNAGSK3B

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
US-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 — — US disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 — — US disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 — — 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 (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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 MAPT 13/4885RAB9A 1793/4885NPC1 679/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 MAPT 12/4885RAB9A 1327/4885NPC1 1758/4885

“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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