SCHEMBL5413733

SCHEMBL5413733

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ BRD4 O60885 1/20 0.53
▸ GSK3B P49841 3/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ PTK2B Q14289 1/20 0.52
▸ STK17A Q9UEE5 3/20 0.49
▸ AURKA O14965 2/20 0.47
▸ GSK3A P49840 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ PRKCQ Q04759 2/20 0.46
▸ LRRK2 Q5S007 2/20 0.45

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
SCHEMBL5410032 0.91 GSK3B (0.54) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5410396 0.89 GSK3B (0.55) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5416358 0.87 GSK3B (0.51) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5413735 0.87 GSK3B (0.51) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5413172 0.87 GSK3B (0.51) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5413202 0.85 STK17A (0.53) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5415291 0.84 HDAC3 (0.49) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5415226 0.84 MEN1 (0.48) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5408180 0.84 STK17A (0.66) MEN1KMT2AMAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5422026 0.84 STK17A (0.53) MEN1KMT2AMAPTRAB9ASMN1; SMN2

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

“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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