SCHEMBL21967064

SCHEMBL21967064

CC(C)CC(CNC(=O)O)Nc1nc(Cl)ncc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
CNR1 P21554 3/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CDK1 P06493 7/20 0.32
KDR P35968 6/20 0.32
CDK2 P24941 6/20 0.32
CA2 P00918 3/20 0.32
CDK4 P11802 2/20 0.32
CDK7 P50613 2/20 0.32
CDK9 P50750 2/20 0.32
CCNT1 O60563 1/20 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
SCHEMBL16057613 1.00 MEN1 (0.36) MEN1KMT2ACYP2D6CYP2C19STK17B
SCHEMBL29474433 1.00 MEN1 (0.36) MEN1KMT2ACYP2D6CYP2C19STK17B
SCHEMBL16057611 1.00 MEN1 (0.36) MEN1KMT2ACYP2D6CYP2C19STK17B
SCHEMBL2722859 0.85 STK17B (0.51) MEN1KMT2ASTK17BSTK17ACTSL
SCHEMBL2724468 0.85 STK17B (0.51) MEN1KMT2ASTK17BSTK17ACTSL
SCHEMBL2722858 0.85 STK17B (0.51) MEN1KMT2ASTK17BSTK17ACTSL
SCHEMBL29437364 0.85 STK17B (0.51) MEN1KMT2ASTK17BSTK17ACTSL
SCHEMBL16058267 0.83 MEN1 (0.38) MEN1KMT2ACYP2D6CYP2C19STK17B
SCHEMBL14355520 0.82 MEN1 (0.40) MEN1KMT2ACNR1CDK1KDR
SCHEMBL13649035 0.82 MEN1 (0.40) MEN1KMT2ACNR1CDK1KDR

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-20210395259-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2021-12-23 US disclosed
US-10927120-B2 CDK inhibitors GI Therapeutics, Inc. (NC) 2021-02-23 US disclosed
US-20200277300-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2020-09-03 US disclosed
US-10660896-B2 Transient protection of normal cells during chemotherapy GI Therapeutics, Inc. (US) 2020-05-26 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 (4 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-20210395259-A1 CDK INHIBITORS CDK3, CDK9, CDK6 MEN1 2275/4885KMT2A 276/4885CYP2D6 640/4885
US-20200277300-A1 CDK INHIBITORS CDK3, CDK9, CDK6 MEN1 2275/4885KMT2A 276/4885CYP2D6 640/4885
US-10927120-B2 CDK inhibitors CDK3, CDK9, CDK6 MEN1 2275/4885KMT2A 276/4885CYP2D6 640/4885
US-10660896-B2 Transient protection of normal cells during chemotherapy CDK6, CCNC, MCL1 MEN1 3666/4885KMT2A 513/4885CYP2D6 1687/4885

“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.