SCHEMBL18656930

SCHEMBL18656930

CPn1cnc2c(Cc3ccccc3)nc(Cl)nc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 12/20 0.47
▸ CDK1 P06493 2/20 0.43
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL19872924 0.74 LMNA (0.42) YTHDC1CDK1
SCHEMBL17262805 0.73 YTHDC1 (0.59) YTHDC1
SCHEMBL8008235 0.66 CDK1 (0.62) CDK1CYP2D6CYP2C9CYP2C19
SCHEMBL19922957 0.65 CDK1 (0.48) YTHDC1CDK1
SCHEMBL30450665 0.65 CDK1 (0.48) YTHDC1CDK1
SCHEMBL27388300 0.64 YTHDC1 (1.00) YTHDC1
SCHEMBL12786350 0.64 YTHDC1 (0.69) YTHDC1CDK1CNR2
SCHEMBL27955757 0.63 PIN1 (0.38) —
SCHEMBL183057 0.63 YTHDC1 (0.68) YTHDC1CDK1CYP2C9CYP2C19CNR2
SCHEMBL30898278 0.63 YTHDC1 (0.68) YTHDC1CDK1CYP2C9CYP2C19CNR2

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 4 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
US-9840520-B2 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) 2017-12-12 — — US disclosed
US-20170081343-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) 2017-03-23 — — 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 (2 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-20170081343-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof TTK, HDAC1, HDAC6 YTHDC1 3923/4885CDK1 53/4885CYP2D6 4750/4885
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 YTHDC1 3923/4885CDK1 53/4885CYP2D6 4750/4885

“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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