SCHEMBL21554525

SCHEMBL21554525

O=C(O)CNc1cccc2c1CN(C1CCC(=O)NC1=O)C2O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.42
▸ DDB1 Q16531 10/20 0.42
▸ MAP1LC3B Q9GZQ8 1/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ IKZF1 Q13422 2/20 0.38
▸ IKZF3 Q9UKT9 2/20 0.38
▸ TNF P01375 1/20 0.38
▸ IL1B P01584 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL26064740 0.88 CRBN (0.41) CRBNDDB1MAP1LC3BBRD4IKZF1
SCHEMBL27273664 0.88 CRBN (0.41) CRBNDDB1MAP1LC3BBRD4IKZF1
SCHEMBL30733869 0.85 HDAC1 (0.41) CRBNDDB1MAP1LC3BBRD4IKZF1
SCHEMBL19453082 0.84 HDAC3 (0.41) CRBNDDB1MAP1LC3BBRD4IKZF1
SCHEMBL19503975 0.82 CRBN (0.54) CRBNDDB1BRD4IKZF1IKZF3
SCHEMBL24480802 0.80 CRBN (0.47) CRBNDDB1BRD4IKZF1IKZF3
SCHEMBL16223943 0.80 CRBN (0.58) CRBNDDB1BRD4IKZF1IKZF3
SCHEMBL20933002 0.80 HDAC3 (0.43) CRBNDDB1BRD4
SCHEMBL30189611 0.79 CRBN (0.65) CRBNDDB1MAP1LC3BBRD4IKZF1
SCHEMBL20242607 0.79 CRBN (0.65) CRBNDDB1MAP1LC3BBRD4IKZF1

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-11541051-B2 Compositions and methods for treating CDK4/6-mediated cancer ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-01-03 — — US disclosed
US-20190336503-A1 COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2019-11-07 — — 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-20190336503-A1 COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER CDK4, CDK6, CDK2 CRBN 185/4885DDB1 103/4885MAP1LC3B 1432/4885
US-11541051-B2 Compositions and methods for treating CDK4/6-mediated cancer CDK4, CDK6, CDK2 CRBN 185/4885DDB1 103/4885MAP1LC3B 1432/4885

“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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