SCHEMBL6744446

SCHEMBL6744446

Cc1nc(C)c(Cl)c(NCc2ccccc2Oc2ccc3ncc([N+](=O)[O-])n3n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.38
PRKCQ Q04759 3/20 0.33
NTRK1 P04629 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
DCTPP1 Q9H773 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL6741831 0.88 TSHR (0.36) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL6884064 0.86 ALDH1A1 (0.31) ALDH1A1CYP1A2GAA
SCHEMBL6742027 0.85 TSHR (0.35) ALDH1A1CYP1A2TSHRGAA
SCHEMBL6740758 0.84 KDM4E (0.36) SMN1; SMN2KMT2AALDH1A1MAPTKDM4E
SCHEMBL6885666 0.84 LMNA (0.31) SMN1; SMN2GAA
SCHEMBL6742499 0.84 RIPK1 (0.32) PRKCQMEN1KMT2AALDH1A1GAA
SCHEMBL6741651 0.84 JAK2 (0.32) PRKCQMEN1KMT2A
SCHEMBL6741815 0.84 FYN (0.36) ALDH1A1TSHRGAA
SCHEMBL6739659 0.84 TSHR (0.43) SMN1; SMN2MEN1KMT2ATSHRGAA
SCHEMBL6741898 0.84 TSHR (0.34) ALDH1A1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818642-B2 CAMPYLOBACTER INFECTION TREATMENT ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040152714-A1 Benzylaminopyrimidines ALTANA PHARMA AG (DE) 2004-08-05 US disclosed
EP-1395594-A1 NEW BENZYLAMINOPYRIMIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2004-03-10 EP disclosed
WO-2002094832-A1 NEW BENZYLAMINOPYRIMIDINES ALTANA PHARMA AG (DE) 2002-11-28 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 (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-20040152714-A1 Benzylaminopyrimidines DPYD, PGLS, TPMT SMN1; SMN2 4687/4885THRB 2155/4885PRKCQ 3952/4885

“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.