SCHEMBL20085572

SCHEMBL20085572

CNC(=O)c1cc(-c2ccc(C(C)C)cc2)cn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.43
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ KIF11 P52732 1/20 0.42
▸ NR4A2 P43354 1/20 0.40
▸ EGLN1 Q9GZT9 2/20 0.39
▸ VEGFA P15692 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC3 O15379 3/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ TP53 P04637 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL20085594 0.85 CCNC (0.48) CCNCCDK8NR4A2HDAC1TP53
SCHEMBL16691879 0.83 CCNC (0.45) THRBCCNCCDK8KIF11EGLN1
SCHEMBL18561792 0.83 CCNC (0.45) THRBCCNCCDK8KIF11EGLN1
SCHEMBL18665455 0.82 THRB (0.40) THRBNR4A2TP53MAPTBRD4
SCHEMBL16691882 0.82 CYP1A2 (0.44) THRBCCNCCDK8KIF11NR4A2
SCHEMBL16708659 0.74 THRB (0.47) THRBKIF11TP53MAPTCYP1A2
SCHEMBL19391346 0.74 HDAC2 (0.53) KIF11HDAC6HDAC2HDAC8CYP2C9
SCHEMBL18561737 0.73 THRB (0.41) THRBKIF11FLT1TP53GAA
SCHEMBL24807366 0.71 KIF11 (0.45) KIF11HDAC6HDAC3HDAC1HDAC2
SCHEMBL26724991 0.71 BRD4 (0.37) KIF11EGLN1TP53GAABRD4

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-10869934-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-22 — — US disclosed
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 — — US disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 — — US disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 — — 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 (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-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM MKI67, HDGF, PCLAF THRB 3105/4885CCNC 172/4885CDK8 231/4885
US-10869934-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF THRB 3105/4885CCNC 172/4885CDK8 231/4885
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF THRB 3105/4885CCNC 172/4885CDK8 231/4885

“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.

Send feedback