SCHEMBL29601304

SCHEMBL29601304

C#CCn1cnc2cnc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
ADORA2B P29275 1/20 0.36
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
MET P08581 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
SCHEMBL5839419 0.78 FGFR1 (0.40) FGFR1FGFR4HDAC6KDM4ENPC1
SCHEMBL28232173 0.75 FGFR1 (0.39) FGFR1FGFR4HDAC6KDM4EALDH1A1
SCHEMBL29141665 0.75 ADORA2A (0.41) FGFR1FGFR4ADORA2BKDM4EALDH1A1
SCHEMBL6016757 0.74 FGFR1 (0.46) FGFR1FGFR4ADORA2BHDAC6KDM4E
SCHEMBL29601155 0.74 KDM4E (0.35) ADORA2BKDM4E
SCHEMBL27773226 0.74 POLB (0.44) FGFR1FGFR4HDAC6KDM4EALDH1A1
SCHEMBL30586403 0.74 FGFR1 (0.46) FGFR1FGFR4ADORA2BHDAC6KDM4E
SCHEMBL29601425 0.74 P2RX7 (0.48) ADORA2BHDAC6
SCHEMBL782938 0.73 YTHDC1 (0.53) FGFR1FGFR4HDAC6
SCHEMBL16972828 0.73 YTHDC1 (0.47) FGFR1FGFR4

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
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP claimed
US-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-08-11 US disclosed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP 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-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF DDB1, HSPBP1, ATIC FGFR1 4478/4885FGFR4 4455/4885ADORA2B 987/4885

“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.