SCHEMBL5409847

SCHEMBL5409847

CNc1nc(Nc2ccc(Cl)c(CNC(=O)OC(C)(C)C)c2)ncc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PTK2B Q14289 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ GSK3B P49841 4/20 0.42
▸ GSK3A P49840 3/20 0.42
▸ AURKA O14965 2/20 0.42
▸ MET P08581 2/20 0.42
▸ IGF1R P08069 2/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ PRKCQ Q04759 4/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ BRD4 O60885 1/20 0.40

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
SCHEMBL5416315 0.86 IGF1R (0.52) MEN1MAPTKMT2APTK2BCYP1A2
SCHEMBL5415257 0.80 MEN1 (0.50) MEN1MAPTKMT2APTK2BCYP1A2
SCHEMBL5413674 0.80 STK17A (0.45) MEN1MAPTKMT2APTK2BCYP1A2
SCHEMBL5413297 0.80 GSK3B (0.53) MEN1MAPTKMT2APTK2BCYP1A2
Hydrochloric Acid SCHEMBL5422026 0.80 STK17A (0.53) MEN1MAPTKMT2APTK2BCYP1A2
SCHEMBL5416329 0.79 EGFR (0.58) MEN1MAPTKMT2APTK2BCYP1A2
SCHEMBL5410032 0.78 GSK3B (0.54) MEN1MAPTKMT2APTK2BCYP1A2
SCHEMBL1916876 0.77 STK17A (0.65) MEN1MAPTKMT2APTK2BCYP1A2
SCHEMBL5413733 0.76 MEN1 (0.54) MEN1MAPTKMT2APTK2BCYP1A2
SCHEMBL1918228 0.76 STK17A (0.66) MEN1MAPTKMT2APTK2BCYP1A2

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 MEN1 3119/4885MAPT 13/4885KMT2A 4026/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 MEN1 2729/4885MAPT 12/4885KMT2A 4480/4885

“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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