SCHEMBL21680378

SCHEMBL21680378

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCCCCCCCN)CC3)s2)o1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.82
HDAC4 P56524 3/20 0.82
HDAC1 Q13547 3/20 0.82
HDAC7 Q8WUI4 3/20 0.82
HDAC2 Q92769 3/20 0.82
HDAC10 Q969S8 3/20 0.82
HDAC11 Q96DB2 3/20 0.82
HDAC8 Q9BY41 3/20 0.82
HDAC6 Q9UBN7 3/20 0.82
HDAC9 Q9UKV0 3/20 0.82
HDAC5 Q9UQL6 3/20 0.82
CDK2 P24941 17/20 0.80
CCNE2 O96020 7/20 0.80
CCNE1 P24864 7/20 0.80
CDK9 P50750 12/20 0.68
CDK7 P50613 4/20 0.68
CCNT1 O60563 3/20 0.68
CCNH P51946 3/20 0.68
MNAT1 P51948 2/20 0.68
CCNA1 P78396 2/20 0.68

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
SCHEMBL26399636 0.93 CDK2 (0.85) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL26128863 0.93 CDK2 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4209787 0.90 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4212967 0.90 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26226441 0.90 CDK2 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20897371 0.90 HDAC3 (0.86) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21680435 0.90 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24510183 0.90 CDK2 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21680309 0.90 CDK2 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4203308 0.89 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20220153751-A1 BIFUNCTIONAL COMPOUNDS BIOTHERYX, INC. (US) 2022-05-19 US disclosed
US-11236103-B2 Bifunctional compounds BIOTHERYX, INC. (US) 2022-02-01 US disclosed
US-20200048277-A1 BIFUNCTIONAL COMPOUNDS BIOTHERYX, INC. 2020-02-13 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 (3 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-20200048277-A1 BIFUNCTIONAL COMPOUNDS CDK2, CDK6, CDK5 HDAC3 760/4885HDAC4 910/4885HDAC1 222/4885
US-11236103-B2 Bifunctional compounds CDK2, CDK6, CDK5 HDAC3 760/4885HDAC4 910/4885HDAC1 222/4885
US-20220153751-A1 BIFUNCTIONAL COMPOUNDS CDK2, CDK6, CDK5 HDAC3 760/4885HDAC4 910/4885HDAC1 222/4885

“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.