SCHEMBL135070

SCHEMBL135070

NCCCn1ccc2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.78
CCND1 P24385 4/20 0.78
LMNA P02545 1/20 0.57
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
SIGMAR1 Q99720 1/20 0.51
HTR6 P50406 1/20 0.50
P2RX7 Q99572 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
ABCB1 P08183 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL4869090 0.94 CDK4 (0.81) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL5989829 0.93 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL9703488 0.93 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL1120445 0.88 CDK4 (0.76) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL20378423 0.87 HTT (0.61) CDK4CCND1LMNAHTR2AHTR2C
Hydrochloric Acid SCHEMBL6258190 0.86 CDK4 (0.73) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL11366447 0.83 CDK4 (1.00) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL28616424 0.81 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL4992403 0.81 CDK4 (0.78) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL21415802 0.81 CDK4 (0.78) CDK4CCND1LMNAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436017-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-09-23 EP disclosed
US-10544147-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-20190119278-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2019-04-25 US disclosed
EP-3436017-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2019-02-06 EP disclosed
US-20180200233-A1 COMPOSITIONS FOR PREVENTING CANCERS ASSOCIATED WITH HUMAN PAPILLOMA VIRUSES LOMA LINDA UNIVERSITY 2018-07-19 US disclosed
US-20180200233-A1 COMPOSITIONS FOR PREVENTING CANCERS ASSOCIATED WITH HUMAN PAPILLOMA VIRUSES LOMA LINDA UNIVERSITY 2018-07-19 US disclosed
WO-2017166104-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2017-10-05 WO disclosed
WO-2017172507-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2017-10-05 WO disclosed
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US disclosed
EP-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP disclosed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US disclosed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 WO disclosed
CN-1368960-A Indole derivatives, process for their preparation, pharmaceutical compositions containing them and their medical use VERNALIS RES LTD (GB) 2002-09-11 CN disclosed
EP-1202965-A1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP disclosed
WO-2001012603-A1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2001-02-22 WO disclosed
US-5990094-A SEROTONIN N-ACETYLTRANSFERASE INHIBITORS WHICH CAN SERVE AS BIOLOGICAL TOOLS THAT HELP REVEAL BIOLOGICAL FUNCTIONS FOR MELATONIN AND PINEAL SEROTONIN IN VIVO; ACETYL-COA N-ACETYL TRYPTAMINE DERIVATIVES OF GIVEN STRUCTURE THE ROCKEFELLER UNIVERSITY (US) 1999-11-23 US disclosed
US-5081131-A Omega-((hetero)alkyl)benz(cd)-indol-2-amines AMERICAN CYANAMID COMPANY (US) 1992-01-14 US disclosed
EP-0230035-A2 Omega-[(hetero)alkyl]benz[cd]indol-2-amines AMERICAN CYANAMID COMPANY (US) 1987-07-29 EP 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-20190119278-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA CDK4 565/4885CCND1 814/4885LMNA 3136/4885
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 CDK4 1559/4885CCND1 2593/4885LMNA 4828/4885
US-10544147-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA CDK4 565/4885CCND1 814/4885LMNA 3136/4885

“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.