SCHEMBL21967070

SCHEMBL21967070

CCC(C)[C@@H](CNC(=O)O)Nc1nc(Cl)ncc1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK1 P06493 17/20 0.33
CDK2 P24941 17/20 0.33
KDR P35968 16/20 0.33
CCNB1 P14635 3/20 0.32
CCNE1 P24864 3/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
CA2 P00918 3/20 0.31
CDK4 P11802 2/20 0.31
CDK7 P50613 2/20 0.31
CDK9 P50750 2/20 0.31
CCNT1 O60563 1/20 0.31
CCND1 P24385 1/20 0.31
CCNH P51946 1/20 0.31
STK17B O94768 1/20 0.31
STK17A Q9UEE5 1/20 0.31

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
SCHEMBL21967071 1.00 MEN1 (0.38) MEN1KMT2ACDK1CDK2KDR
SCHEMBL16058267 0.89 MEN1 (0.38) MEN1KMT2ACDK1CDK2KDR
SCHEMBL2722934 0.85 STK17B (0.47) MEN1KMT2ACDK1CDK2KDR
SCHEMBL20584280 0.85 STK17B (0.47) MEN1KMT2ACDK1CDK2KDR
SCHEMBL2722937 0.85 STK17B (0.47) MEN1KMT2ACDK1CDK2KDR
SCHEMBL18495142 0.85 STK17B (0.47) MEN1KMT2ACDK1CDK2KDR
SCHEMBL21967064 0.80 MEN1 (0.36) MEN1KMT2ACDK1CDK2KDR
SCHEMBL16057613 0.80 MEN1 (0.36) MEN1KMT2ACDK1CDK2KDR
SCHEMBL16057611 0.80 MEN1 (0.36) MEN1KMT2ACDK1CDK2KDR
SCHEMBL29474433 0.80 MEN1 (0.36) MEN1KMT2ACDK1CDK2KDR

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-20210395259-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2021-12-23 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 (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-20210395259-A1 CDK INHIBITORS CDK3, CDK9, CDK6 MEN1 2275/4885KMT2A 276/4885CDK1 8/4885
US-10660896-B2 Transient protection of normal cells during chemotherapy CDK6, CCNC, MCL1 MEN1 3666/4885KMT2A 513/4885CDK1 15/4885

“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.