SCHEMBL5465713

SCHEMBL5465713

Clc1ccc(Cn2cnc3c(Cl)nc(Cl)nc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.56
YTHDC1 Q96MU7 9/20 0.54
HDAC6 Q9UBN7 7/20 0.51
HDAC1 Q13547 6/20 0.51
HDAC4 P56524 4/20 0.51
HDAC3 O15379 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
ADORA2A P29274 1/20 0.49
PDE8A O60658 1/20 0.48
ACP1 P24666 1/20 0.46

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
SCHEMBL5461215 0.88 HDAC6 (0.60) P2RX7YTHDC1HDAC6HDAC1HDAC4
SCHEMBL13596788 0.88 HDAC6 (0.57) P2RX7YTHDC1HDAC6HDAC1HDAC4
SCHEMBL5459615 0.88 HDAC6 (0.60) P2RX7YTHDC1HDAC6HDAC1HDAC4
SCHEMBL30898278 0.88 YTHDC1 (0.68) P2RX7YTHDC1HDAC1HDAC2HDAC8
SCHEMBL183057 0.88 YTHDC1 (0.68) P2RX7YTHDC1HDAC1HDAC2HDAC8
SCHEMBL12795895 0.86 HDAC6 (0.56) P2RX7YTHDC1HDAC6HDAC1HDAC4
SCHEMBL5471560 0.85 YTHDC1 (0.55) P2RX7YTHDC1HDAC6HDAC1HDAC4
SCHEMBL21977307 0.85 HDAC6 (0.69) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL5451873 0.84 YTHDC1 (0.72) P2RX7YTHDC1ADORA2APDE8AACP1
SCHEMBL30898205 0.84 YTHDC1 (0.72) P2RX7YTHDC1ADORA2APDE8AACP1

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-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 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-20070203159-A1 Purine compounds PNP, UMPS, TYMP P2RX7 26/4885YTHDC1 632/4885HDAC6 4066/4885

“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.