SCHEMBL19360753

SCHEMBL19360753

Cc1ccc(-c2nc(NCCNc3ccc(C#N)cn3)ncc2-c2nc(C)c[nH]2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.57
CCNB2 O95067 2/20 0.57
CDK1 P06493 2/20 0.57
CCNB1 P14635 2/20 0.57
GSK3A P49840 2/20 0.57
CCNB3 Q8WWL7 2/20 0.57
RPS6KB1 P23443 1/20 0.57
CDK2 P24941 1/20 0.57
LIMK1 P53667 1/20 0.57
TAOK1 Q7L7X3 1/20 0.57
SLK Q9H2G2 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
CSNK1G1 Q9HCP0 1/20 0.57
HSP90AB1 P08238 4/20 0.39
IDH1 O75874 3/20 0.37
HCRTR1 O43613 2/20 0.33
KDM1A O60341 1/20 0.33
DPP4 P27487 1/20 0.32
VNN1 O95497 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
SCHEMBL12552315 0.91 GSK3B (0.67) GSK3BCCNB2CDK1CCNB1GSK3A
Laduviglusib SCHEMBL29381114 0.86 GSK3B (0.77) GSK3BCCNB2CDK1CCNB1GSK3A
Laduviglusib SCHEMBL29838591 0.86 GSK3B (0.77) GSK3BCCNB2CDK1CCNB1GSK3A
Laduviglusib SCHEMBL240280 0.86 GSK3B (0.77) GSK3BCCNB2CDK1CCNB1GSK3A
Laduviglusib SCHEMBL17165152 0.85 GSK3B (0.76) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5094723 0.85 GSK3B (0.66) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4398952 0.85 GSK3B (0.65) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5094545 0.80 GSK3B (0.68) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4404427 0.77 GSK3B (0.64) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL20095066 0.76 GSK3B (0.72) GSK3BCCNB2CDK1CCNB1GSK3A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11401510-B2 Generation of airway basal stem cells from human pluripotent stem cells TRUSTEES OF BOSTON UNIVERSITY (US) 2022-08-02 US disclosed
EP-3303564-B1 METHODS OF IN VITRO DIFFERENTIATION OF MIDBRAIN DOPAMINE (MDA) NEURONS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-02-23 EP disclosed
EP-3429603-B1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION CHILDRENS MEDICAL CENTER (US) 2021-12-29 EP disclosed
US-20210254016-A1 GENERATION OF AIRWAY BASAL STEM CELLS FROM HUMAN PLURIPOTENT STEM CELLS TRUSTEES OF BOSTON UNIVERSITY (US) 2021-08-19 US disclosed
US-20200248143-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION, ENRICHMENT, AND MAINTENANCE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-08-06 US disclosed
US-10669528-B2 Methods and compositions relating to hematopoietic stem cell expansion, enrichment, and maintenance CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-06-02 US disclosed
US-20190119642-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION CHILDREN'S MEDICAL CENTER CORPORATION (US) 2019-04-25 US disclosed
US-20180187156-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION, ENRICHMENT, AND MAINTENANCE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2018-07-05 US disclosed
WO-2017161001-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-09-21 WO 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 (5 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-20200248143-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION, ENRICHMENT, AND MAINTENANCE HDAC1, EHMT1, MCL1 GSK3B 35/4885CCNB2 1873/4885CDK1 726/4885
US-20180187156-A1 METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION, ENRICHMENT, AND MAINTENANCE HDAC1, EHMT1, MCL1 GSK3B 35/4885CCNB2 1873/4885CDK1 726/4885
US-20210254016-A1 GENERATION OF AIRWAY BASAL STEM CELLS FROM HUMAN PLURIPOTENT STEM CELLS KRT18, CFTR, MCOLN3 GSK3B 3246/4885CCNB2 4618/4885CDK1 4793/4885
US-10669528-B2 Methods and compositions relating to hematopoietic stem cell expansion, enrichment, and maintenance HDAC1, EHMT1, MCL1 GSK3B 35/4885CCNB2 1873/4885CDK1 726/4885
US-11401510-B2 Generation of airway basal stem cells from human pluripotent stem cells KRT18, CFTR, MCOLN3 GSK3B 3246/4885CCNB2 4618/4885CDK1 4793/4885

“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.