SCHEMBL2080600

SCHEMBL2080600

COCCn1ccc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.68
CCND1 P24385 4/20 0.68
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.51
HTT P42858 3/20 0.51
MAPK1 P28482 2/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR6 P50406 4/20 0.49
GLO1 Q04760 1/20 0.48
TSHR P16473 1/20 0.48
SMPD1 P17405 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
SCHEMBL30630289 1.00 CDK4 (0.68) CDK4CCND1HTR2AHTR2CNPC1
SCHEMBL31083788 0.89 CDK4 (0.70) CDK4CCND1HTR2AHTR2CNPC1
SCHEMBL3995842 0.89 CDK4 (0.70) CDK4CCND1HTR2AHTR2CNPC1
SCHEMBL14578718 0.86 CDK4 (0.59) CDK4CCND1HTR2AHTR2CNPC1
SCHEMBL14578719 0.84 CDK4 (0.56) CDK4CCND1HTR2AHTR2CNPC1
SCHEMBL8866695 0.82 CDK4 (0.63) CDK4CCND1HTR2AHTR2CNPC1
SCHEMBL11366447 0.82 CDK4 (1.00) CDK4CCND1HTR2AHTR2CALDH1A1
SCHEMBL6469417 0.81 CDK4 (0.61) CDK4CCND1HTR2AHTR2CNPC1
SCHEMBL30057745 0.81 CDK4 (0.61) CDK4CCND1HTR2AHTR2CNPC1
SCHEMBL25753204 0.80 CDK4 (0.59) CDK4CCND1HTR2AHTR2CNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969967-A Synthesis method of polysubstituted-5, 10-dihydro [1,2,3,4] tetrathio [5,6-b:7,8-b' ] diindole and derivative 衡阳师范学院 2023-10-31 CN claimed
CN-116813639-A Synthesis method of polysubstituted [1,2,3,4,5] pentathio [6,7-b ] indole and derivative 衡阳师范学院 2023-09-29 CN claimed
CN-116969967-A Synthesis method of polysubstituted-5, 10-dihydro [1,2,3,4] tetrathio [5,6-b:7,8-b' ] diindole and derivative 衡阳师范学院 2023-10-31 CN disclosed
CN-116813639-A Synthesis method of polysubstituted [1,2,3,4,5] pentathio [6,7-b ] indole and derivative 衡阳师范学院 2023-09-29 CN disclosed
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-26 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
US-7863302-B2 Compounds and methods for modulating FX-receptors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 US disclosed
US-4788285-A COLOR FORMERS IN IMAGER TRANSFERRING, CARBONLESS COPYING, THERMAL RESPONISVE MARKING HILTON DAVID CHEMICAL CO. 1988-11-29 US disclosed
US-4736027-A COLOR FORMING HILTON DAVIS CHEMICAL CO. (US) 1988-04-05 US disclosed
US-4660060-A COLOR-FORMING FOR TRANSFER IMAGING; XEROGRAPHY THE HILTON-DAVIS CHEMICAL CO. (US) 1987-04-21 US disclosed
EP-0206114-A2 Novel substituted phthalides and furopyridinones, preparation thereof and use thereof as color formers HILTON-DAVIS CHEMICAL CO. (US) 1986-12-30 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 (6 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-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 CDK4 142/4885CCND1 1565/4885HTR2A 4841/4885
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 CDK4 306/4885CCND1 1115/4885HTR2A 768/4885
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS CDK4 592/4885CCND1 1555/4885HTR2A 2340/4885
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 CDK4 142/4885CCND1 1565/4885HTR2A 4841/4885
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 CDK4 1114/4885CCND1 1208/4885HTR2A 4167/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 CDK4 142/4885CCND1 1565/4885HTR2A 4841/4885

“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.