SCHEMBL1395043

SCHEMBL1395043

O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cc(Br)ccc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 16/20 1.00
CCND1 P24385 16/20 1.00
CCNE2 O96020 9/20 1.00
CCNE1 P24864 9/20 1.00
CDK2 P24941 9/20 1.00
CAMK2B Q13554 9/20 1.00
CAMK2G Q13555 9/20 1.00
CAMK2D Q13557 9/20 1.00
CAMK2A Q9UQM7 9/20 1.00
CCNB2 O95067 5/20 1.00
CDK1 P06493 5/20 1.00
CCNB1 P14635 5/20 1.00
CCNB3 Q8WWL7 5/20 1.00
CDK5 Q00535 3/20 1.00
CDK5R1 Q15078 3/20 1.00
CCNA2 P20248 2/20 1.00
CCNT1 O60563 1/20 1.00
EIF2AK2 P19525 1/20 1.00
CDK9 P50750 1/20 1.00
PRKACA P17612 2/20 0.74

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
SCHEMBL22566990 0.93 CDK4 (0.86) CDK4CCND1CCNE2CCNE1CDK2
Staurosporine Aglycon SCHEMBL8124103 0.86 CDK4 (1.00) CDK4CCND1CCNE2CCNE1CDK2
Staurosporine Aglycon SCHEMBL30530825 0.86 CDK4 (1.00) CDK4CCND1CCNE2CCNE1CDK2
Staurosporine Aglycon SCHEMBL29406635 0.86 CDK4 (1.00) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8127691 0.84 CDK4 (1.00) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8127688 0.83 CDK4 (0.86) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL29511391 0.80 GLI1 (1.00) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6632580 0.78 CDK4 (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6631769 0.78 CDK4 (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL14708731 0.77 CDK4 (0.80) CDK4CCND1CCNE2CCNE1CDK2

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3463342-B1 ESTROGEN RECEPTOR MODULATOR COMBINATIONS UNIV CALIFORNIA (US) 2023-09-06 EP claimed
US-20210275657-A1 NEOANTIGENS AND USES THEREOF NEON THERAPEUTICS, INC. 2021-09-09 US claimed
EP-3810180-A1 NEOANTIGENS AND USES THEREOF BioNTech US Inc. (US) 2021-04-28 EP claimed
CN-112584852-A Novel antigens and uses thereof 百欧恩泰美国公司 2021-03-30 CN claimed
US-10421948-B2 Methods for making pancreatic endocrine cells JANSSEN BIOTECH, INC. (US) 2019-09-24 US claimed
EP-3344275-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF Aileron Therapeutics, Inc. (US) 2018-07-11 EP claimed
US-20170355963-A1 DIFFERENTIATION OF HUMAN PLURIPOTENT STEM CELLS JANSSEN BIOTECH, INC. (US) 2017-12-14 US claimed
US-9752126-B2 Differentiation of human pluripotent stem cells JANSSEN BIOTECH, INC. (US) 2017-09-05 US claimed
EP-2346988-B1 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS TO THE PANCREATIC ENDOCRINE LINEAGE JANSSEN BIOTECH INC (US) 2017-05-31 EP claimed
WO-2017040990-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2017-03-09 WO claimed
US-20160160182-A1 Differentiation of Human Pluripotent Stem Cells JANSSEN BIOTECH, INC. (US) 2016-06-09 US claimed
WO-2013071415-A1 TARGETING THE RB PATHWAY FOR THE PREVENTION OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2013-05-23 WO claimed
EP-3344275-B1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS INC (US) 2023-03-08 EP disclosed
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-02-02 US disclosed
US-11318138-B2 Methods for treating B cell proliferative disorders CORNELL UNIVERSITY (US) 2022-05-03 US disclosed
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2021-11-25 US disclosed
US-20100112693-A1 Differentiation of Human Embryonic Stem Cells CENTOCOR ORTHO BIOTECH, INC. 2010-05-06 US disclosed
WO-2010048273-A2 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-04-29 WO disclosed
WO-2010039997-A2 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-04-08 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 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-11318138-B2 Methods for treating B cell proliferative disorders CDK4, BCL6, BCL6B CDK4 1/4885CCND1 50/4885CCNE2 141/4885
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR CDK4 175/4885CCND1 2634/4885CCNE2 3047/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN CDK4 3176/4885CCND1 4863/4885CCNE2 4764/4885
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR CDK4 175/4885CCND1 2634/4885CCNE2 3047/4885

“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.