SCHEMBL3779797

SCHEMBL3779797

CCCCCN(CCCCC)CCCc1cnc(N)nc1N

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
TLR8 Q9NR97 1/20 0.46
DHFR P00374 5/20 0.45

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
SCHEMBL3780609 0.92 PKM (0.46) PKMDHFR
SCHEMBL3786585 0.88 PKM (0.43) PKMDHFR
SCHEMBL1554275 0.87 PKM (0.55) PKMDHFR
SCHEMBL29352921 0.87 PKM (0.55) PKMDHFR
SCHEMBL3778205 0.86 PKM (0.43) PKMDHFR
SCHEMBL16701417 0.85 PKM (0.54) PKMDHFR
SCHEMBL16701413 0.85 PKM (0.54) PKMDHFR
SCHEMBL9499492 0.85 PKM (0.54) PKMDHFR
SCHEMBL30872658 0.85 PKM (0.54) PKMDHFR
SCHEMBL28201697 0.85 PKM (0.56) PKMDHFR

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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 US claimed
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 PKM 2598/4885TLR8 743/4885DHFR 362/4885

“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.