SCHEMBL5528704

SCHEMBL5528704

CC(CCc1cnc(Nc2c(Cl)cccc2Cl)nc1N)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 5/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
FLT4 P35916 4/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
DHFR P00374 1/20 0.31
LMNA P02545 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
SCHEMBL5535331 0.88 LMNA (0.46) DHFRLMNA
SCHEMBL5522754 0.88 IGF1R (0.43) HDAC3HDAC1HDAC2HDAC6DHFR
SCHEMBL5529511 0.87 TNK2 (0.35) TNK2HDAC6JAK1JAK3DHFR
SCHEMBL5527904 0.86 CDK9 (0.36) JAK2JAK1JAK3
SCHEMBL2113337 0.83 TNK2 (0.44) TNK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL5522579 0.83 SCN9A (0.44) SLC6A2
SCHEMBL2113867 0.81 TNK2 (0.46) TNK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL4199140 0.81 KDM4E (0.41) DHFR
SCHEMBL5525215 0.81 DHFR (0.39) TNK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL2114805 0.81 TNK2 (0.46) TNK2HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US claimed

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-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG TNK2 195/4885HDAC3 2598/4885HDAC1 3099/4885

“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.