SCHEMBL6885782

SCHEMBL6885782

Cc1nc(C)c(Cl)c(NCc2ccc(OCCn3c([N+](=O)[O-])cnc3C)c(Cl)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
KDR P35968 1/20 0.44
EGFR P00533 3/20 0.43
ERBB2 P04626 2/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
GLA P06280 2/20 0.42
GAA P10253 1/20 0.42
GUSB P08236 1/20 0.42
PTK2 Q05397 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6887016 0.88 LMNA (0.45) LMNAKDREGFRERBB2ALDH1A1
SCHEMBL6884066 0.81 EGFR (0.43) LMNAKDREGFRERBB2ALDH1A1
SCHEMBL6884064 0.79 ALDH1A1 (0.31) ALDH1A1GAA
SCHEMBL6868584 0.77 TYMS (0.39) LMNAEGFRERBB2ALDH1A1KMT2A
SCHEMBL6866412 0.77 TYMS (0.38) LMNAEGFRERBB2ALDH1A1KMT2A
SCHEMBL6871110 0.76 TYMS (0.38) LMNAEGFRERBB2ALDH1A1KMT2A
SCHEMBL6869123 0.75 LMNA (0.40) LMNAKDREGFRERBB2ALDH1A1
SCHEMBL6869711 0.75 TYMS (0.37) LMNAEGFRERBB2ALDH1A1KMT2A
SCHEMBL6882952 0.71 ALDH1A1 (0.31) ALDH1A1GAA
Hydrochloric Acid SCHEMBL6882939 0.70 ALDH1A1 (0.31) ALDH1A1GAA

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-20040158066-A1 Novel pyridylmethylaminopyrimidines ALTANA PHARMA AG (DE) 2004-08-12 US disclosed
EP-1395592-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES ALTANA Pharma AG (DE) 2004-03-10 EP disclosed
WO-2002094831-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES 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-20040158066-A1 Novel pyridylmethylaminopyrimidines PGLS, PLPBP, PDXK LMNA 4589/4885KDR 4573/4885EGFR 1662/4885

“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.