SCHEMBL4426563

SCHEMBL4426563

Cc1ccc(-n2ccc3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.67
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 0.46
MGLL Q99685 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL29733475 1.00 BIRC5 (0.67) BIRC5PRKD3PRKCGPRKCBPRKCA
Toluene SCHEMBL23051706 0.96 BIRC5 (0.62) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL13242029 0.83 BIRC5 (0.71) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL170890 0.83 BIRC5 (0.70) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL29475118 0.83 BIRC5 (0.70) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL5216431 0.82 BIRC5 (0.55) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL12979964 0.81 BIRC5 (0.47) BIRC5PRKD3PRKCGPRKCBPRKCA
Hydrochloric Acid SCHEMBL3803742 0.81 BIRC5 (0.68) BIRC5PRKD3PRKCGPRKCBPRKCA
Dimethylamine SCHEMBL5608192 0.80 BIRC5 (0.61) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL5792785 0.80 BIRC5 (0.67) BIRC5PRKD3PRKCGPRKCBPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459533-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY National University of Singapore (SG) 2012-06-06 EP claimed
WO-2022148752-A9 PHOTOCHROMIC DYES AND POLYMERIC MATRIX FOR AN EFFICIENT DIMMING FILM Sony Group Corporation (JP) 2023-08-03 WO disclosed
CN-115232051-B Method for preparing N-substituted indole derivative 华中科技大学 2023-07-25 CN disclosed
US-11522135-B2 Organic electroluminescence device and manufacturing method of the same SAMSUNG DISPLAY CO., LTD. (KR) 2022-12-06 US disclosed
CN-115232051-A Method for preparing N-substituted indole derivative 华中科技大学 2022-10-25 CN disclosed
WO-2022148752-A2 PHOTOCHROMIC DYES AND POLYMERIC MATRIX FOR AN EFFICIENT DIMMING FILM Sony Group Corporation (JP) 2022-07-14 WO disclosed
WO-2022139234-A1 CORE-SHELL DYE, PHOTOSENSITIVE RESIN COMPOSITION COMPRISING SAME, PHOTOSENSITIVE RESIN FILM, COLOR FILTER, AND CMOS IMAGE SENSOR 삼성에스디아이 주식회사 2022-06-30 WO disclosed
US-20200185619-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-11 US disclosed
US-20200168809-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-05-28 US disclosed
US-20200098993-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MANUFACTURING METHOD OF THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-03-26 US disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 WO disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO disclosed
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2002-10-24 US disclosed
US-6395916-B1 AMINE, PHOSPHINE LIGANDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-05-28 US disclosed
US-6307087-B1 USE OF CATALYSTS COMPRISING THESE LIGANDS IN TRANSITION METAL-CATALYZED CARBON-HETEROATOM AND CARBON-CARBON BOND-FORMING REACTIONS. MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-10-23 US disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
US-6100398-A Transition metal-catalyzed process for preparing N-aryl amine compounds YALE UNIVERSITY (US) 2000-08-08 US disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 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 (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-20200185619-A1 ORGANIC LIGHT-EMITTING DEVICE LEF1, OR10J3, CRY1 BIRC5 3876/4885PRKD3 4674/4885PRKCG 4526/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 BIRC5 3683/4885PRKD3 2828/4885PRKCG 4505/4885
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 BIRC5 1976/4885PRKD3 4788/4885PRKCG 3693/4885

“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.