SCHEMBL6742499

SCHEMBL6742499

Cc1nc(C)c(Cl)c(NCc2cc(Oc3ccc4ncc([N+](=O)[O-])n4n3)ccc2F)n1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 2/20 0.32
SLC6A4 P31645 2/20 0.32
KCNH2 Q12809 2/20 0.32
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
EGFR P00533 4/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
PFKFB3 Q16875 1/20 0.30
PRKCQ Q04759 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL6741651 0.94 JAK2 (0.32) MEN1KMT2AS1PR4JAK2JAK3
SCHEMBL6740758 0.87 KDM4E (0.36) KMT2AALDH1A1GAAEGFR
SCHEMBL6741831 0.87 TSHR (0.36) MEN1KMT2AS1PR4ALDH1A1GAA
SCHEMBL6742101 0.85 ALDH1A1 (0.40) MEN1KMT2AALDH1A1PRKCQ
SCHEMBL6882952 0.85 ALDH1A1 (0.31) ALDH1A1GAA
Hydrochloric Acid SCHEMBL6882939 0.85 ALDH1A1 (0.31) ALDH1A1GAA
SCHEMBL6739562 0.84 CHRM4 (0.37) MEN1KMT2AS1PR4ALDH1A1GAA
SCHEMBL6744446 0.84 SMN1; SMN2 (0.38) MEN1KMT2AALDH1A1GAAPRKCQ
SCHEMBL6741846 0.83 ALDH1A1 (0.40) KMT2AALDH1A1GAAPRKCQ
SCHEMBL6745661 0.83 KDM4E (0.34) KMT2AALDH1A1GAAEGFR

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 2 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

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 RIPK1 4735/4885MEN1 2577/4885KMT2A 693/4885

“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.