SCHEMBL6742507

SCHEMBL6742507

Cc1nc(C)c(Cl)c(NCc2ccc(O)c(OCC(F)(F)F)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALPL P05186 1/20 0.36
ALPG P10696 1/20 0.36
PLAA Q9Y263 1/20 0.36
STAT1 P42224 1/20 0.35
MEN1 O00255 1/20 0.35
CXCL12 P48061 1/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL6739651 0.84 KMT2A (0.47) MAPTTSHRALDH1A1KMT2AKDM4E
SCHEMBL6741864 0.84 ALDH1A1 (0.42) MAPTTSHRALDH1A1KMT2AKDM4E
SCHEMBL6740329 0.83 KMT2A (0.46) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL6743861 0.83 TSHR (0.39) MAPTTSHRALDH1A1KMT2AKDM4E
SCHEMBL6740326 0.82 ALDH1A1 (0.37) MAPTTSHRALDH1A1KMT2AKDM4E
SCHEMBL6746130 0.79 ALPL (0.42) KMT2AHSD17B10ALPLALPGPLAA
SCHEMBL6884677 0.79 METAP1 (0.31)
SCHEMBL6740970 0.79 ALPL (0.43) KMT2AHSD17B10ALPLALPGPLAA
SCHEMBL6743539 0.78 CCNB2 (0.47) TSHRKMT2AGAAALOX15STAT1
SCHEMBL6743052 0.74 ESR1 (0.49) MAPTALDH1A1KMT2AKDM4EGAA

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 MAPT 4405/4885TSHR 2503/4885ALDH1A1 355/4885

“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.