SCHEMBL19872924

SCHEMBL19872924

CPn1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ P2RX7 Q99572 2/20 0.41
▸ CDK1 P06493 3/20 0.41
▸ YTHDC1 Q96MU7 5/20 0.39
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32

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
SCHEMBL19928505 0.82 LMNA (0.42) LMNATP53P2RX7CDK1YTHDC1
SCHEMBL183035 0.76 CDK1 (0.68) LMNATP53P2RX7CDK1YTHDC1
SCHEMBL29426225 0.76 CDK1 (0.68) LMNATP53P2RX7CDK1YTHDC1
SCHEMBL18656930 0.74 YTHDC1 (0.47) CDK1YTHDC1
SCHEMBL13212062 0.72 P2RX7 (0.44) LMNATP53P2RX7CDK1YTHDC1
SCHEMBL17484493 0.72 P2RX7 (0.44) LMNATP53P2RX7CDK1YTHDC1
SCHEMBL11456968 0.72 P2RX7 (0.44) LMNATP53P2RX7CDK1YTHDC1
SCHEMBL19204894 0.72 P2RX7 (0.44) LMNATP53P2RX7CDK1YTHDC1
SCHEMBL16976840 0.72 CDK1 (0.44) LMNATP53P2RX7CDK1YTHDC1
SCHEMBL18526643 0.72 P2RX7 (0.44) LMNATP53P2RX7CDK1YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47690-E1 Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-11-05 — — US disclosed
US-20180044352-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-02-15 — — 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-20180044352-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof TTK, HDAC1, HDAC6 LMNA 1716/4885TP53 2176/4885P2RX7 4763/4885

“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.

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